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[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVID(A)(F)(R)P(D)VT(S)SS(F)QRPVNDMNI(A)(S)(G)C(P)LFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CCNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)FQRPVNDMN(I)(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)FQRPVNDMNI(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)FQRPVNDMNI(A)(S)(G)C(P)LFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)(F)QRPVNDMN(I)(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVT(S)S(S)FQRPVNDMNI(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFPRKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)(G)TGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)(F)QRPVNDMNI(A)(S)(G)C(P)LFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVT(S)S(S)FQRPVNDMNI(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)IYLNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSS(S)FQRPVNDMN(I)(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSSSFQRPVNDMNI(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSSSFQRPVNDMNI(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AMADLEQKVLEMEASTYDGVFIWKISDFARKRQEAVAGRIPAIFSPAFYTSRYGYKMCL(R)I(Y)LNG(D)GTGRGTHLSL(F)FVVMKGPNDALLRWPFNQKVTLMLLDQNNREHVIDA(F)RPDVTSSSFQRPVNDMN(I)(A)(S)(G)CPLFCPVSKMEAKNSYVRDDAIFIKAIVDLTGL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)IG(M)S(P)(W)QVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)RKSP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)RKSP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)RKSP(Q)E(L)LCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHSR(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O,CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)RKSP(Q)E(L)LCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFN(N)(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCC(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target MDAVAVYHGKIS(R)ETG(E)KLLLATGLDGSYLLRDSESVPGVYCLCVLYHG(Y)(I)(Y)(T)(Y)(R)VSQTETGSWSA(E)(T)(A)PG(V)HK(R)YFRKIKNLISAFQKP(D)Q(G)IVIPLQYPVEK known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MDAVAVYHGKIS(R)ETG(E)KLLLATGLDGSYLL(R)D(S)(E)(S)VPGVY(C)LCVLYHG(Y)(I)(Y)(T)(Y)(R)VSQTETGSWSA(E)(T)(A)PG(V)HK(R)YFRKIKNLISAFQKP(D)Q(G)IVIPLQYPVEK known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC1CCC(O[PH](O)(O)O)CC1)C(O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target AVAVYHGKIS(R)ETG(E)KLLLATGLDGSYLL(R)D(S)(E)(S)VPGVY(C)LCVLYHG(Y)(I)Y(T)(Y)(R)VSQTETGSWSA(E)(T)(A)PG(V)HK(R)YFRKIKNLISAFQKP(D)Q(G)IVIPLQYPVEK known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CC1CCC(O[PH](O)(O)O)CC1)[C@@H](O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target N(Y)CNQMMKS(R)NLTKDRCKPV(N)(T)(F)(V)(H)(E)S(L)ADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)O |
[INST] Generate new ligand in SMILES that have affinity to this target N(Y)CNQMMKS(R)NLTKDRCKPV(N)(T)(F)(V)(H)(E)S(L)ADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVP(V)H(F)DASV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](C)O)C(O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)O |
[INST] Generate new ligand in SMILES that have affinity to this target PKPGDIFEVELAKNDNS(L)(G)(I)(S)(V)TGG(V)NTSVRHGGIYVKAVIPQGAAESDGRIHKGDRVLAVNGVSLEGAT(H)KQA(V)ETL(R)NTGQVVHLLLEKGQSPT known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target N(Y)CNQMMKS(R)NLTKDRC(K)PV(N)(T)(F)(V)(H)(E)S(L)ADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVH(F)DASV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]([NH3+])CCCC[NH3+])[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(N)O |
[INST] Generate new ligand in SMILES that have affinity to this target EHVII(Q)A(E)FYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFA(S)(F)EAQGALA(N)IA(V)DKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(O)[C@H](CC1CCCCC1)N[C@H](C)O)C(=O)N[C@@H](CSCNC(C)O)C(O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target DTRPRFLEQVK(H)ECHFFNGTERVRFLDR(Y)FYHQEEYVRFDSDVGE(Y)RAVTELGRPDAEY(W)NSQKD(L)LE(Q)KRAAVD(T)(Y)CR(H)(N)YG(V)(G)ESFTVQRRVYPEVTVYPANLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(O)[C@H](CC1CCCCC1)N[C@H](C)O)C(=O)N[C@@H](CSCNC(C)O)C(O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFMFDFDGDE(I)FHVDMAKKETVWRLEEFGRFAS(F)EAQGALA(N)IA(V)DKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFD known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)N[C@@H](CC1CCCCC1)[C@@H](O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)[C@H](O)N[C@H]1CC[C@H]2CCC[C@H]3C[C@@H]([C@H](O)NC(CO)CO)N([C@H]23)[C@H]1O |
[INST] Generate new ligand in SMILES that have affinity to this target GDTRPRFLEQVK(H)ECHFFNGTERVRFLDR(Y)FYHQEEYVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQKRAAVD(T)(Y)CR(H)(N)YGVGESFTVQRRVYPEVTVYPAKNLLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSLTSPLTVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)N[C@@H](CC1CCCCC1)[C@@H](O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)[C@H](O)N[C@H]1CC[C@H]2CCC[C@H]3C[C@@H]([C@H](O)NC(CO)CO)N([C@H]23)[C@H]1O |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)A(E)FYLNPDQSGEFMFDFDGDE(I)FHVDMAKKETV(W)RLEEFGRFA(S)(F)EAQGALA(N)IA(V)(D)KA(N)LEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CO)N[C@H](O)[C@@H]1CCCN2C(O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(O)[C@H](CC3CCCCC3)N[C@@H](C)O)C(O)N12)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target GDTRPRFLEQVK(H)ECHFFNGTERVRFLDR(Y)FYHQEEYVRFDSDVGE(Y)RAVTELGRPDAEY(W)NSQKD(L)LEQKRAAVD(T)(Y)CR(H)(N)YG(V)GESFTVQRRVYPEVTVYPALLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSLTSPLTVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CO)N[C@H](O)[C@@H]1CCCN2C(O)CC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(O)[C@H](CC3CCCCC3)N[C@@H](C)O)C(O)N12)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target EHVII(Q)A(E)FYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFA(S)(F)EAQ(G)ALA(N)IA(V)(D)KA(N)LEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(O)[C@H](C1CCCCC1)N(C)C(=O)[C@H](CCCNC(=N)N)N[C@@H](O)[C@H](CC1CCCCC1)NC(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](N)O)C(C)(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target TRPRFLEQVK(H)ECHFFNGTERVRFLDR(Y)FYHQEEYVRFDSDVGEYRAVTELGRPDAEY(W)NSQKDLLEQKRAAVD(T)(Y)CR(H)(N)YG(V)GESFTVQRRVYPEVTVYPALLVCSVNGFYPGSIEVRWFRNGQEEKTGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSLTSPLTVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(O)[C@H](C1CCCCC1)N(C)C(=O)[C@H](CCCNC(=N)N)N[C@@H](O)[C@H](CC1CCCCC1)NC(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H]([C@H](N)O)C(C)(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MDVVDSLLVNGSNITPPCELGLENETLFCLDQP(R)(P)SKE(W)QPA(Q)VI(L)L known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
[INST] Generate new ligand in SMILES that have affinity to this target ADCGLRPLFEKKSLEDKTERELLESYIDIVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C[C@H]1CC[C@H](OS(O)(O)O)CC1)C(O)N[C@H](C=O)CC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target (P)(K)NKGKGGKNRRRGKNENESEKRELVFKEDGQEYAQVIKMLGNGRLEAMCFDGVKRLCHIRGKLRKKVWINTSDIILVGLRDYQDNKADVILKYNADEARSLKAYGELPEHAKINETDTFGPGDDDEIQFDDIGDDDEDIDDI known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCSC)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target FLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAI(E)LNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIE(E)(Q)P(K)N(Y)QVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYEDMLENQCDNKEDILNKALELCEILAKEKDTIRKEYWRYIGRSLQSKHSRESDIPASV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)O.CC(O)O.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target PVWSEPLYSLRPEHARERLQDDSVETVTSIEQAKVEEKIQEVFSSYKFNHLVPRLVLQREKHFHYLKRGLRQLT(D)AYE(C)LDA(S)RP(W)LCYWILHSLELLDEPIPQIVATDVCQFLELCQSPDGGFGGGPGQYPHLA(P)TYAAVNALCIIGTEEAYNVINREKLLQYLYSLKQPDGSFLMHVGGEVDV(R)SAYCAASVASLTNIITPDLFEGTAEWIARCQNWEGGIGGVPGMEAHGGYTFCGLAALVILKKERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDGCYSFWQAGLLPLLHRALHAQGDPALSMSHWMFHQQALQEYILMCCQCPAGGLLDKPG(K)(S)R(D)F(Y)(H)TCYCLSGLSIAQHFGSGAMLHDVVMGVPENVLQPTHPVYNIGPDKVIQATTHFLQKPVPGF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(O)O.CC(O)O.CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target FLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQP(K)N(Y)QVWHHRRVLVEWLKDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFRLWDNELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSRYPNLLNQLLDLQPSHSSPYLIAFLVDIYEDMLENQCDNKEDILNKALELCEILAKEKDTIRKEYWRYIGRSLQSKHSRESDIPASV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target PVWSEPLYSLRPEHARERLQDDSVETVTSIEQAKVEEKIQEVFSSYKFNHLVPRLVLQREKHFHYLKRGLRQLTDAYEC(L)DA(S)RP(W)LCYWILHSLELLDEPIPQIVATDVCQFLELCQSPDGGFGGGPGQYPHLAPTYAAVNALCIIGTEEAYNVINREKLLQYLYSLKQPDGSFLMHVGGEVDV(R)SAYCAASVASLTNIITPDLFEGTAEWIARCQNWEGGIGGVPGMEAHGGYTFCGLAALVILKKERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDGCYSFWQAGLLPLLHRALHAQGDPALSMSHWMFHQQALQEYILMCCQCPAGGLLDKPGKSRDF(Y)HTCYCLSGLSIAQHFGSGAMLHDVVMGVPENVLQPTHPVYNIGPDKVIQATTHFLQKPVPGF known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCSC)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target EKFERTKPHVNVGTIGHVDHGKTTLTAAITTVLAKTYGGAARAFDQIDNAPEEKARGITINTSHVEYDTPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVVAATDGPMPQTREHILLGRQVGVPYIIVFLNKCDMVDDEELLELVEMEVRELLSQYDFPGDDTPIVRGSALKALEGDAEWEAKILELAGFLDSYIPEPERAIDKPFLLPI(E)DVFSISG(R)GT(V)V(T)(G)(R)VERGIIKVGEEVEIVGIKETQKSTC(T)(G)(V)(E)M(F)(R)KLLDEGRAGE(N)(V)(G)V(L)LRGIKREEIERGQVLAKPGTIKPHTKFESEVYILSKDEGGRHTPFFKGYRPQFYFRTTDVTGTIELPEGVEMVMPGDNIKMVVTLIHPIAMDDGLRFAIREGGRTVGAGVVAKVLG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CNC(O)C[C@@H]1NC(O)C2CSC(N2)C2CCC([C@H]3NC(C4N[C@H](C(=O)N5CCC[C@H]5C(N)=O)CO4)CS3)NC2C2CSC(N2)C2CSC(N2)[C@H]([C@H](O)C2CCCCC2)NC(=O)CNC(O)C2NC(SC2COC)[C@H](C(C)C)NC(O)C2NC1SC2C |
[INST] Generate new ligand in SMILES that have affinity to this target KPHVNVGTIGHVDHGKTTLTAAITTVLAKTYGGAARAFDQIDNAPEEKARGITINTSHVEYDTPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVVAATDGPMPQTREHILLGRQVGVPYIIVFLNKCDMVDDEELLELVEMEVRELLSQYDFPGDDTPIVRGSALKALEGDAEWEAKILELAGFLDSYIPEPERAIDKPFLLPI(E)(D)V(F)SISG(R)GT(V)V(T)(G)RVERGIIKVGEEVEIVGIKETQKSTC(T)(G)V(E)M(F)(R)K(L)LDEGRAGE(N)(V)(G)V(L)LRGIKREEIERGQVLAKPGTIKPHTKFESEVYILSKDEGGRHTPFFKGYRPQFYFRTTDVTGTIELPEGVEMVMPGDNIKMVVTLIHPIAMDDGLRFAIREGGRTVGAGVVAKVLG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CNC(O)C[C@@H]1N[C@H](O)C2CSC(N2)C2CCC([C@H]3NC(C4N[C@H](C(=O)N5CCC[C@H]5C(N)=O)CO4)CS3)NC2C2CSC(N2)C2CSC(N2)[C@H]([C@H](O)C2CCCCC2)NC(=O)CNC(O)C2NC(SC2COC)[C@H](C(C)C)NC(O)C2NC1SC2C |
[INST] Generate new ligand in SMILES that have affinity to this target ADCGLRPLFEKKSLEDKTERELLESYIDIVEGSDAEIGMSPWQVML(F)R(K)SP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)V(R)IGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@H](C=O)CC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target QVRQSPQSLTVWEGETTILNCSYEDS(T)FDYFPWYRQFPGKSPALLIAISLVSNKKEDGRFTIFFNKREKKLSLHITDSQPGDSATYFCAAT(G)(S)(F)NKLTFGAGTRLAVSPY known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IEADHVGS(Y)GI(T)VYQSPGDIGQYT(F)EFDGDELFYVDLDKKETVWMLPEFAQ(L)(R)(R)FEPQGGLQ(N)IA(T)(G)K(H)(N)LE(I)LTKRSNSTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVTDGVYETSFFVNRDYSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWEPEI known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSERHFVHQ(F)QPFCYFTNGTQRIRLVIR(Y)IYNREEYVRFDSDVGE(Y)RAVTELGR(P)(D)AE(Y)(W)NKQ(Y)LERTRA(E)LDT(V)CR(H)(N)YE(K)(T)ETPTSLRRLEQPSVVISLSRTEALNHHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPRRGEVYTCHVEHPSLKSPITVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target QVRQSPQSLTVWEGETTILNCSYEDS(T)F(D)YFPWYRQFPGKSPALLIAISLVSNKKEDGRFTIFFNKREKKLSLHITDSQPGDSATYFCAATG(S)(F)NKLTFGAGTRLAVSPY known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IEADHVGS(Y)GITVYQSPGDIGQYT(F)EFDGDELFYVDLDKKETV(W)MLPEFAQL(R)(R)(F)EPQGGLQ(N)IA(T)(G)K(H)(N)LE(I)LTK(R)SNSTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVTDGVYETSFFVNRDYSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWEPEI known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSERHFVHQ(F)QPFCYFTNGTQRIRLVIR(Y)IYNREEYVRFDSDVGE(Y)RAVTELGR(P)(D)AE(Y)(W)NKQ(Y)LERTRA(E)LD(T)(V)CR(H)(N)YEKTETPTSLRRLEQPSVVISLSRTEALNHHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPRRGEVYTCHVEHPSLKSPITVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSHSLR(Y)FVTAVSRPGFGEPRYMEVGYVDNTEFVRFDSDAENPRYEPRARWIEQEGPEYWE(R)(E)TR(R)ANG(N)EQ(S)FRV(D)LRTALR(Y)YNQSAGGSHTLQ(W)MAGCDVESDGRLLRGY(W)Q(F)AYDGCD(Y)IALNEDLKTWTAADMAAQI(T)RR(K)(W)EQAGAAE(R)DRA(Y)LEG(E)CVE(W)LRR(Y)LKNGNATLLATDPPKAHVTHHRRPEGDVTLRCWALGFYPAEITLTWQLNGEELTQEMELVETRPAGDGTFQKWASVVVPLGKQQKYTCHVEHEGLPEPLTLRW known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target HQWQADEEAVRSATCSFSVKYLGCVEVFESRGMQVCEEALKVLRQSRRRPVRGLLHVSGDGLRVVDDETKGLIVDQT(I)(E)(K)V(S)(F)(C)A(P)DRNHERGFSYICRDGTTRRWMCHGFLACKDSGERL(S)HAVGCA(F)AV(C)(L)ER known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IFSTRAHV(F)QIDPNTKKN(W)VPTSKHAVTVSYFYDSTRNVYRIISLDGSKAIINSTITPNMTFTKT(S)Q(K)(F)GQWADSRANTVYGL(G)(F)SSEHHLSKFAEKFQEFKEA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVMLFRKSPQELLCGASLISDRWVLTAA[H]CLL(Y)PPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNW(R)[E]N(L)DRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTR(I)(R)ITDNMFCAGYKPDEGKRG(D)(A)CEGD[S]GGPFV(M)(K)S(P)FN(N)(R)(W)YQMGIV(S)(W)(G)(E)GCDRDGKYGFYTHVFRLKKWIQKVIDQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O,CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)N)[C@H](C)O)C(C)C)C(C)C,CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVMLFRKSPQELLCGASLISDRWVLTAA(H)CLL(Y)PP(W)DKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNW(R)(E)NLDRDIALMKLKKPVAFS(D)YI(H)(P)(V)(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDST(R)(I)RITDNMFCAGYKPDEGKRG(D)(A)(C)(E)GD(S)GGPFV(M)(K)SPFN(N)(R)(W)YQMGIV(S)(W)(G)(E)GCDRDGKYGFYTHVFRLKKWIQKVIDQFG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O,CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)N)[C@H](C)O)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)IG(M)S(P)(W)QVML(F)RKS(P)(Q)(E)(L)LCGASLISDRWVLTAA(H)CLL(Y)PPWD(K)NFTENDLLVRIGKHS(R)(T)R(Y)ERNIEKISMLEKIYIHPRYNWRE(N)LDRDIALMKLKKPVA(F)S(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKEG(Q)PSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRG(D)(A)(C)E(G)D(S)GGPFV(M)(K)SPFNN(R)(W)YQMGIVS(W)(G)(E)(G)CDRDGKYGFYTHVFRLKKWIQKVIDQFGE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CCCC(CCC)[C@H](O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)N)[C@@H](O)[C@H](O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)[C@@H](C)CC,CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target EGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNI(R)EMLPV(L)(E)AVAKAGKPLLIIAEDVEGEALA(T)LVV(N)TMRG(I)VKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target EGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNI(R)EMLPV(L)(E)AVAKAGKPLLIIAEDVEGEALA(T)LVV(N)TM(R)G(I)VKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target EGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISN(I)(R)EM(L)PV(L)(E)AVAKAGKPLLIIAEDVEGEALA(T)LVV(N)TMRG(I)VKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target EGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNIREMLPV(L)(E)AVAKAGKPLLIIAEDVEG(E)ALA(T)LVV(N)TMRG(I)VKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGV known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VLLLDVTPLSLGIE(T)(M)GGVMTTLIAKNTTIPTKHSQV(F)(S)(T)(A)EDN(Q)S(A)(V)(T)IHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFDELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQQQHA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VLLLDVTPLSLGIE(T)(M)GGVMTTLIAKNTTIPTKHSQV(F)(S)(T)(A)EDN(Q)SA(V)(S)IHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N |
[INST] Generate new ligand in SMILES that have affinity to this target VLLLDVTPLSLGIET(M)GGVMTTLIAKNTTIPTKHSQV(F)(S)(T)(A)EDN(Q)SA(V)SIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQEL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N |
[INST] Generate new ligand in SMILES that have affinity to this target VLLLDVTPLSLGIE(T)(M)GGVMTTLIAKNTTIPTKHSQV(F)(S)T(A)EDN(Q)S(A)V(S)IHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQ known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC=O)[C@@H](C)O.O |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFMFDFDGDEI(F)HVDMAKKETV(W)RLEEFGR(F)(A)(S)(F)EAQ(G)ALA(N)IA(V)DKA(N)LE(I)MTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target TRPRFLWQ(L)K(F)ECHFFNGTERVRLLERCIYNQEESVRFDSDVGE(Y)RAVTELGRP(D)AE(Y)(W)NSQKD(L)LE(Q)(R)RAAVDT(Y)CR(H)(N)YG(V)GESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFMFDFDGDEI(F)HVDMAKKETV(W)RLEEFGRF(A)(S)(F)EAQ(G)ALA(N)IA(V)DKA(N)LE(I)MTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target TRPRFLWQLK(F)ECHFFNGTERVRLLERCIYNQEESVRFDSDVGE(Y)RAVTELGRP(D)AE(Y)(W)NSQKD(L)LE(Q)(R)RAAVDT(Y)CR(H)(N)YG(V)GESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVNG(E)EAV(P)G(S)(W)PWQVSLQDKTGFHFCGGSLINENWVVTAA[H]CGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNS(L)(T)INNDITLLKLSTAASFSQTVS(A)V(C)LPSASDDFAAGTTC(V)TTGWGLTRYTNANTPDRLQ(Q)ASLPLLSNTNCKKYWGT(K)IKDAMICAGASGVS(S)CMGD[S]GGPLVCKKNG(A)(W)TLVGIV(S)(W)(G)(S)STCSTSTPGVYARVTALVNWVQQTLAAN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)CN[C@@H](O)OCC1CCCCC1,CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C=O)CC(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target IVNG(E)EAVPG(S)(W)(P)WQVSLQDKTGFHFCGGSLINENWVVTAA(H)CGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNS(L)(T)INNDITLLKLSTAASFSQTVS(A)V(C)LPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQ(Q)A(S)LPLLSNTNCKKYWGT(K)IKDAMICAGASGVS(S)C(M)GD(S)GGPLVCKKNGA(W)TLVGIV(S)(W)(G)(S)STCSTSTPGVYARVTALVNWVQQTLAAN known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CNC(=O)CN[C@@H](O)OCC1CCCCC1,CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C=O)CC(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAA(H)CLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNW(R)(E)N(L)DRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDST(R)(I)RITDNMFCAGYKPDEGKRG(D)(A)CEGD(A)GGPFVMKSPFNNRWYQMGIVS(W)(G)EGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GPSVFLFPPKPKDT(L)(M)(I)(S)(R)TPEVTCVVVDVSHENPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAV(E)WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSV(M)HEAL(H)(N)(H)(Y)TQKSLSL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target GPSVFLFPPKPKDT(L)(M)(I)(S)(R)TPEVTCVVVDVSHENPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAV(E)WESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSV(M)HEAL(H)(N)(H)(Y)TQKSLSL known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDIVEGSDAEIGMSPWQVML(F)RKSP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)V(R)IGKHS(R)(T)(R)(Y)ERNIE(K)(I)S(M)LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)C(O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YLV(C)GE(R)(G)(F)(F)YTPKA known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C1N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC3=O~[NaH](~O=1)~OC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC2=O)C(=O)N[C@H]3C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GGHDVPLTN(Y)(L)NAQYYTDITLGTPPQNFKVILDTGSSNLWVPSNECGSLACFLHSKYDHEASSSYKANGTEFAIQ(Y)G(T)GSLEGYISQDTLSIGDLTIPKQDFAEATSEPGL(T)FA(F)GKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTENGGEATFGGIDESKFKGDITWLPVR(R)K(A)(Y)WEVKFEGIGLGDEYAELESHGAAIDTG(T)S(L)ITLPSGLAEMINAEIGAKKGWTG(Q)YTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEV(S)G(S)CISAITP(M)D(F)PEP(V)GPLAIVGDAFLRKYYSIYDLGNNAVGLAKAI known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C=O)C(C)C)C(C)C.OS(O)(O)O.OS(O)(O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ANGLTVAQNQVLNLIKACPRPEGLNFQDLKNQLKHMSVSSIKQAVDFL(S)(N)(E)(G)HI(Y)(S)(T)(V)D(D)DHFKS(T)DAE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSKARVYADVNVLRPKEYWDYEALTVQWGE(Q)DDY(E)(V)(V)(R)KVGRGKYSEV(F)EGINVNNNEKCI(I)K(I)LKPVKKKKIKREIKILQNLCGGPNIVKLLDIVR(D)QHSKTPSLIFEYVNNTDFK(V)LY(P)TLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDH(E)LRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O,CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSKARVYADVNVLRPKEYWDYEALTVQWGE(Q)DD(Y)(E)(V)VRKVGRGKYSEV(F)EG(I)NVNNNEKCI(I)K(I)LKPVKKKKIKREIKILQNLCGGPNIVKLLDIVR(D)QHSKTPSLIFEYV(N)N(T)DF(K)(V)LY(P)(T)LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O,CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSKARVYADVNVLRPKEYWDYEALTVQWGE(Q)DDYE(V)V(R)KVGRGKYSEV(F)EGINVNNNEKCIIK(I)LKPVKKKKIKREIKILQNLCGGPNIVKLLDIVR(D)QHSKTPSLIFEYVNNTDF(K)(V)LY(P)TLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSKARVYADVNVLRPKEYWDYEALTVQWGE(Q)DDY(E)(V)V(R)KVGRGKYSEV(F)EG(I)NVNNNEKCIIK(I)LKPVKKKKIKREIKILQNLCGGPNIVKLLDIVR(D)QHSKTPSLIFEYVN(N)(T)DF(K)VLY(P)(T)LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQ(H)LVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFL(E)(E)(I)K(E)Q(E)(V)VD(K)VMETLDEDGDGECDFQEFMA(F)VS(M)VTT(A)CHEFFEHE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)NCCCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFL(E)(E)(I)K(E)Q(E)(V)VD(K)VMETLDEDGDGECDFQEFMA(F)VS(M)VTT(A)CHEFFEHE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)NCCCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDG(E)TR(K)VKAHSQ(T)HR(V)(D)LGTLRG(Y)YNQSEAGSHTVQ(R)M(Y)GCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQT(T)KHK(W)EAAHVAE(Q)(L)RA(Y)LEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETR(K)VKAHSQ(T)HR(V)(D)LGTLRG(Y)YNQSEAGSHTVQRM(Y)GCDVGSDWRFLRGYHQ(Y)AYDGKDYIALKEDLRSWTAADMAAQT(T)KH(K)(W)EAAHVAE(Q)(L)RA(Y)LEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDG(E)TR(K)(V)KAHSQTHR(V)(D)LGTLRG(Y)YNQSEAGSHTVQRM(Y)GCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQT(T)KH(K)(W)EAAHVAEQ(L)RA(Y)LEGTCVE(W)LRR(Y)LENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDG(E)TR(K)VKAHSQ(T)HR(V)(D)LGTLRG(Y)YNQSEAGSHTVQRM(Y)GCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQT(T)KH(K)(W)EAAHVAE(Q)(L)RA(Y)LEGTCVE(W)LRR(Y)LENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target IVGGKVCPKGECPWQVLLLVN(G)AQLCGGTLINTIWVVSAAHCFDKIKNWRNLIA(V)LG(E)HD(L)(S)E(H)DGD(E)Q(S)RRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQ(L)(L)(D)RGATA(L)ELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](C)NC(C)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target IVGGKVCPKGECPWQVLLLVN(G)AQLCGGTLINTIWVVSAAHCFDKIKNWRNLIA(V)LG(E)HD(L)(S)E(H)DGD(E)Q(S)RRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQ(L)(L)(D)RGATA(L)ELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC(C)C[C@H](NC(=O)[C@H](C)NC(C)O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(N)=O)C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVML(F)R(K)SPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAAS(L)LQAG(Y)(K)(G)(R)VTGWGNLKETWTANVGKGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVM(K)S(P)FN(N)(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ(F) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)R(K)SP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAAS(L)LQAG(Y)(K)(G)(R)VTGWGNLKETWTANVGKGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVM(K)S(P)FN(N)(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ(F) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVML(F)R(K)SPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETWTANVGKGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVM(K)S(P)FN(N)(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ(F) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)R(K)SPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAAS(L)LQAG(Y)(K)G(R)VTGWGNLKETWTANVGKGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVM(K)SPFN(N)(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQ(F) known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@@H](C=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)O,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target AP(I)(T)(A)(Y)(S)(Q)Q(T)(R)GLLGCII(T)(S)LTGRDKN(Q)V(D)G(E)(V)(Q)(V)(L)(S)TATQSFLATCVNGVCWTVYHGAGS(K)(T)(L)(A)GPKGPITQMYTNVDQDLVGWPAPPGARSMTPCTCGSSDLYLVT(R)HADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFIPVESM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target API(T)(A)(Y)(S)(Q)Q(T)RGLLG(C)II(T)(S)LTGRDKN(Q)V(D)(G)(E)(V)Q(V)(L)(S)TATQSFLATCVNGVCWTVYHGAGS(K)(T)(L)(A)GPKGPITQMYTNVDQDLVGWPAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFIPVESM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target AP(I)(T)(A)(Y)(S)(Q)Q(T)RGLLGCII(T)(S)LTGRDKN(Q)V(D)G(E)(V)(Q)(V)(L)(S)TATQSFLATCVNGVCWTVYHGAGS(K)(T)(L)(A)GPKGPITQMYTNVDQDLVGWPAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFIPVESM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target API(T)(A)(Y)(S)(Q)Q(T)(R)GLLG(C)II(T)(S)LT(G)RDKNQV(D)G(E)(V)(Q)(V)(L)(S)TATQSFLATCVNGVCWTVYHGAGS(K)(T)(L)AGPKGPITQMYTNVDQDLVGWPAPPGA(R)SMTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFIPVESM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target API(T)(A)(Y)(S)(Q)Q(T)(R)GLLG(C)IIT(S)LTGRDKN(Q)V(D)G(E)(V)(Q)(V)(L)(S)TATQSFLATCVNGVCWTVYHGAGS(K)(T)(L)AGPKGPITQMYTNVDQDLVGWPAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFIPVESM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target API(T)(A)(Y)(S)(Q)Q(T)RGLLG(C)II(T)(S)LTGRDKN(Q)V(D)G(E)(V)(Q)(V)(L)(S)TATQSFLATCVNGVCWTVYHGAGS(K)(T)(L)(A)GPKGPITQMYTNVDQDLVGWPAPPGARSMTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPVSYLKGSSGGPLLCPSGHVVGIFRAAVCTRGVAKAVDFIPVESM known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)CC)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target ALIDVVVVCDE(S)[N](S)I(Y)PWDAVKNFLEKFVQGLDIGPTKTQVGLIQYANNPRVVFNLNTYKTKEEMIVATSQTS(Q)YGG(D)(L)(T)NTFGAIQYARKYAYSAASGGRRSATKVMVVVTDGES[H]DGSMLKAVIDQCNHDNILRFGIAVLGY(L)NRNALDTKNLIKEIKAIASIPTERYFFNVSDEAALLEKAG known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(N)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)F(Y)TAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRAPWIEQEGPEYWDR(N)TQ(I)(F)KT(N)TQ(T)YR(E)(N)LR(I)ALR(Y)YNQSEAGSHTWQTM(Y)GCDVGPDGRLLRGHNQYAYDGKDYIALNEDLSSWTAADTAAQI(T)QR(K)(W)EAAR(E)AEQLRA(Y)LEGLCVE(W)LRRHLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FYTAMSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRTEPRPPWIEQEGPEYWD(R)(N)TQ(I)FKT(N)TQTYRE(N)LR(I)ALRYYNQSEAGSHT(W)QTM(Y)GCDVGPDGRLLRGHNQ(Y)AYDGKDYIALNEDLSSWTAADTAAQI(T)QRK(W)EAAR(E)AEQ(L)RA(Y)LEG(L)CVEWLRRHLENGKETLQRADPPKTHVTHHPVSDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP known contacting residues marked as explained below. Active residues are marked as follows: single occurrence with ( ), double occurrence with [ ], and more than two occurrences with { }. [/INST]CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)O |