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[INST] Generate new ligand in SMILES that have affinity to this target MKLSKDTIAILKNFASINSGILLSQGKFIMT(R)AVN(G)(T)TYAEANISDEIDFDVALYDLNSFLSILSLVSDDAEISMHTDGNIKIADTRSTVYWPAADKSTIVFP(N)(K)P(I)QF(P)VASVITEIKAEDLQQLLRVSRGLQIDTIAITNKDGKIVINGYNKVEDSGLTRPKYSLTLTDYDGSNNFNFVINMANMKIQPGNYKVMLWGAGDK(V)(A)AKFESSQVSYVI(A)M(E)ADSTHDF 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(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHMIEPNVISVRLFKRKV(G)(G)(L)G(F)(L)(V)(K)(E)RVSKPPVII(S)DLIRGGAAEQSGLIQAGDIILAVNDRPLVDLS(Y)DSA(L)EVLRGIASETHVVLILRGPEGFTTHLETTFTGDGTPKTIRVTQPLGPPTKAV 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]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target FVNQ(H)(L)(C)GEH(L)VEALYL(V)(C)GE(R)(G)FFYTPKT 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)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)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](Cc2ccc(O)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC1=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target FVNQ(H)(L)(C)GEH(L)VEA(L)YL(V)(C)GE(R)(G)FFYTPK(T) 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)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)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](Cc2ccc(O)cc2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC1=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDTRHQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYYYVNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHSR(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CO)CC1CCC(OS(O)(O)O)CC1 |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVML(F)RKPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKEGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG 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](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N[C@H](CO)C[C@H]1CC[C@@H](OS(O)(O)O)CC1,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc1ccc(O)cc1)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVAEVQPSVLQVVNLPLVERPVCKAST(R)(I)RITDNMFCAGYKPGEGKRG(D)(A)C(E)(G)D(S)GGPFVMKSPYNNRWYQMGIVS(W)(G)EGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS 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 IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAA(H)CLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNW(K)(E)(N)LDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTT 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 IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAA(H)CLL(Y)PP(W)DKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNW(K)(E)NLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKAST(R)(I)RITDNMFCAGYKPGEGKRG(D)(A)CEGD(S)GGPFVMKSPYNNRWYQMGIV(S)(W)(G)EGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS 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 IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAA(H)CLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNW(K)(E)N(L)DRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKAST(R)IRITDNMFCAGYKPGEGKRG(D)(A)C(E)(G)D(S)GGPFVMKSPYNNRWYQMGIVS(W)(G)EGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS 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 NL(F)VA(L)(Y)DFVASG(D)NTLSITKGEKLRVLG(Y)NHN(G)(E)(W)CEAQTKNGQG(W)V(P)(S)(N)(Y)(I)(T)(P)VN(S) 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](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target NLFVAL(Y)DFVASG(D)NTLSITKGEKLRVLGYNHNG(E)(W)CEAQTKNGQG(W)VPSN(Y)ITPVNS 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](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target NL(F)VAL(Y)D(F)VASG(D)NTLSITKGEKLRVLG(Y)NHNG(E)(W)CEAQTKNGQG(W)V(P)(S)(N)(Y)(I)(T)(P)VNS 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](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target NL(F)VA(L)(Y)D(F)VA(S)G(D)NTLSITKGEKLRVLG(Y)NHN(G)(E)(W)CEAQTKNGQG(W)V(P)(S)N(Y)(I)(T)(P)VN(S) 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](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MTQRLALSDAHFRRICQLIYQRAGIVLADHKRDMVYNRLVRRLRALGLDDFGRYLSMLEANQNSAEWQAFINALTTNLTAFFREAHHFPILAEHARRRHGEYRVWSAAASTGEEPYSIAITLADALGMAPGRWKVFASDIDTEVLEKARSGIYRLSELKTLSPQQL(Q)RYF(M)(R)(G)(T)G(P)(H)EGL(V)(R)VRQELANYVEFSSVNLLEKQYNVPGPFDAIFCRNVMIYFDKTTQEDILRRFVPLLKPDGLLFAGHSENFSNLVREFSLRGQTVYALS 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)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)(M)C(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)AGPNTNGS(Q)F(F)ICTAKTE(W)LDG(K)(H)VVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE 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](C)[C@@H](O)[C@H]1[C@@H](O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(O)N(C)[C@@H](CC(C)C)[C@@H](O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)[C@@H](O)N[C@@H](C)C(=O)N[C@H](C)[C@@H](O)N(C)[C@@H](CC(C)C)[C@@H](O)N(C)[C@@H](CC(C)C)[C@@H](O)N(C)[C@@H](C(C)C)[C@@H](O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target HAADRIARLPGQPAVDFDMYSGYITVDEGAGRSLFYLLQEAPEDAQPAPLVLWLN(G)(G)PGCSSVAYGASEELGAFRVKPRGAGLVLNEYRWNKVANVLFLDSPAGVGFSYTNTSSDIYTSGDNRTAHDSYAFLAKWFERFPHYKYRDFYIAGE(S)(Y)AGHYVPELSQLVHRSKNPVINLKGFMVGNGLIDDYHDYVGTFEFWWNHGIVSDDTYRRLKEACLHDS(F)IHPSPACDAATDVATAEQGNIDMYSLYTPVCN 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](N)C(=O)N[C@H](CO)CCCNC(N)N |
[INST] Generate new ligand in SMILES that have affinity to this target HAADRIARLPGQPAVDFDMYSGYITVDEGAGRSLFYLLQEAPEDAQPAPLVLWLN(G)(G)PG(C)SSVAYGASEELGAFRVKPRGAGLVLNEYRWNKVANVLFLDSPAGVGFSYTNTSSDIYTSGDNRTAHDSYAFLAKWFERFPHYKYRDFYIAGE(S)(Y)AGHYVPELSQLVHRSKNPVINLKGFMVGNGLIDDYHDYVGTFEFWWNHGIVSDDTYRRLKEACLHDS(F)IHPSPACDAATDVATAEQGNIDM(Y)SLYTPVCNI 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@H](O)[C@@H](N[C@@H](O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]1CCNC(N)N1)C(=O)N[C@H](CO)CC1CCCCC1 |
[INST] Generate new ligand in SMILES that have affinity to this target SYDPCTERYSTAYYNRRDVQMALHANVTGAMNYTWAT(C)S(D)TI(N)THWHDAPRSMLPIYRELIAAGLRIWVFSGDTDAVVPLTATRYSIGALGLPTTTSWYPWYDDQEVGGWSQVYKGLTLVSVRGAG(H)EVPLHRPRQALVLFQYFLQGKPMPGQ 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@H](O)[C@@H](N[C@@H](O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H]1CCNC(N)N1)C(=O)N[C@H](CO)CC1CCCCC1 |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)RKSPQE(L)LCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKEGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)S(P)FN(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](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](C=O)CC(C)C,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc1ccc(O)cc1)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)F(F)TSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDG(E)TR(K)VKA(H)SQ(T)HR(V)(D)LGTLRG(Y)YNQSEAGSHTVQRM(Y)GCDVGSDWRFLRGYHQ(Y)AYDGKDYIALKEDLRSWTAADMAAQT(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 QQVKQNSPSLSVQEGRISILNCDYTNS(M)F(D)YFLWYKKYPAEGPTFLISISSIKDKNADGRFTVFLNKSAKHLSLHIVPSQPGDSAVYFCAA(M)E(G)(A)QKLVFGQGTRLTINPNIQNPDPAVYQLRDSKSVCLFTDFDSQTNVSQSKDSDVYITDKTVLDMRFKSNSAVAWSNKSDFACANAFNNSIIPEDTF 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 GVTQTPKFQVLKTGQSMTLQCAQDMNHEYMSWYRQDPGMGLRLIHYSVGAGITDQGEVPNGYNVSRSTTEDFPLRLLSAAPSQTSVYFCASSYP(G)GGF(Y)EQYFGPGTRLTVTEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVSTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD 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 TATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIKALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFNYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAGGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPLAHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNICYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLC(T)(S)ATESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLAEWESRIAEVDARVV(R)EVCSKYFYDQCPAVAGFGPIEQLPDYNRIRSGMFWLRF 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)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target VAPTLTARLYSLLFRRT(S)TF(A)(L)TI(V)VGA(L)FFERAFDQGADAIYEHINEGKLWKHIKHKYENK 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)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target FLGEEDIPREPRRIVIHRGST(G)(L)(G)(F)(N)(I)(I)GGEDGEGIFI(S)FILAGGPADLSGELRKGDQILSVNGVDLRNAS(H)EQAAIALKNAGQTVTIIAQYKPEEYSRFEANSRVNSSGRIVTN 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](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target FVNQ(H)(L)(C)(G)(S)HL(V)(E)A(L)(Y)L(V)(C)G(E)(R)[G][F][F](Y)TP(K)(T) 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(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH](~[Zn]~Cl)c[nH+]1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)[C@@H](C)O)C(C)C.NC(O)C1CCC(O)CC1,CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[NH3+])[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target TATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIKALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFNYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAGGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPLAHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNICYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLC(T)(S)ATESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLAEWESRIAEVDARVV(R)EVCSKYFYDQCPAVAGFGPIEQLPDYNRIRSGMFWLRF 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)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target VAPTLTARLYSLLFRR(T)(S)TF(A)(L)TI(V)VGA(L)FFERAFDQGADAIYEHINEGKLWKHIKHKYENK 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)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target TATYAQALQSVPETQVSQLDNGLRVASEQSSQPTCTVGVWIDAGSRYESEKNNGAGYFVEHLAFKGTKNRPGNALEKEVESMGAHLNAYSTREHTAYYIKALSKDLPKAVELLADIVQNCSLEDSQIEKERDVILQELQENDTSMRDVVFNYLHATAFQGTPLAQSVEGPSENVRKLSRADLTEYLSRHYKAPRMVLAAAGGLEHRQLLDLAQKHFSGLSGTYDEDAVPTLSPCRFTGSQICHREDGLPLAHVAIAVEGPGWAHPDNVALQVANAIIGHYDCTYGGGAHLSSPLASIAATNKLCQSFQTFNICYADTGLLGAHFVCDHMSIDDMMFVLQGQWMRLC(T)(S)ATESEVLRGKNLLRNALVSHLDGTTPVCEDIGRSLLTYGRRIPLAEWESRIAEVDA(R)VV(R)EVCSKYFYDQCPAVAGFGPIEQLPDYNRIRSGMFWLRF 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)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target VAPTLTARLYSLLFRRT(S)TFA(L)TI(V)VGALFFERAFDQGADAIYEHINEGKLWKHIKHKYENK 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)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target LEPEPWFFKNLS(R)KDAERQLLAPGNTHGSFLI(R)E(S)(E)(S)TAGSF(S)LSVRDFDQNQGEVV(K)(H)(Y)(K)IRNLDNGGFYISPRITFPGLHELVRHYTNASD(G)LCTRLSRPCQT 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](CC1CCC(CC(O)O)CC1)N[C@H](C)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKET 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)O |
[INST] Generate new ligand in SMILES that have affinity to this target (E)(E)YK(C)(Y)(C)(T)(D)TYSDCPG(F)CKTCKAEFGKYICLDLISPND(C)(V)K 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]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSLR(Y)FVTAVSRPGFGEPRYMEVGYVDNTEFVRFDSDAENPRYEPRARWIEQEGPEYWE(R)(E)TR(R)AKG(N)EQ(S)FR(V)(D)LRT(A)LR(Y)YNQSAGGSHTLQ(W)MAGCDVESDGRLLRGY(W)Q(F)AYDGCDYIALNEDLKTWTAADMAAQI(T)RR(K)(W)EQAGAAE(R)DRA(Y)LEG(E)CVE(W)LRR(Y)LKNGNATLLRTDPPKAHVTHHRRPEGDVTLRCWALGFYPADITLTWQLNGEELTQEMELVETRPAGDGTFQKWASVVVPLGKEQKYTCHVEHEGLPEPLTLRW 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 AAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDG(N)G(H)GTHCAGTVGSRTYGVAKKTQLFGVKV(L)DD(N)(G)SGQYSTIIAGMDFVASDKNNRNCPKGVVASL(S)(L)(G)(G)GYSSSVNSAAARLQSSGVMVA(V)(A)(A)(G)(N)(N)NADARN(Y)S(P)(A)SEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILST(W)IGGSTRS(I)S(G)(T)(S)(M)ATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA 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)CNC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target LPQMTQQLNSDDMQEQLSATVKFRQILS(R)EHR(P)PIDVVIQAGVVPRLVEFMRENQPEMLQLEAA(W)ALT(N)IAS(G)TSAQ(T)KVVVDADAVPLFIQLLYTGSVEVKE(Q)AI(W)ALG(N)VAG(D)STDYRDYVLQCNAMEPILGLFNSNKPSLIRTAT(W)TLS(N)LCRGKKPQPDWSVVSQALPTLAKLIYSMDTETLVDACWAISYLSDGPQEAIQAVIDVRIPKRLVELLSHESTLVQTPALRAVGNIVT(G)NDLQTQVVINAGVLPALRLLLSSPKENIKKEAC(W)TIS(N)ITAGNTEQIQAVIDANLIPPLVKLLEVAEYKTKK(E)AC(W)AISNASSGGLQRPDIIRYLVSQGCIKPLCDLLEIADNRIIEVTLDALENIIKMGEADKEARGLNINENADFIEKAGGMEKIFNCQQNENDKIYEKAYKIIETYFG 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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C=O,CC(C)[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN |
[INST] Generate new ligand in SMILES that have affinity to this target LPQMTQQLNSDDMQEQLSATVKFRQILS(R)EHR(P)PIDVVIQAGVVPRLVEFMRENQPEMLQLEAA(W)ALT(N)IA(S)GTSAQTKVVVDADAVPLFIQLLYTGSVEVKE(Q)AI(W)ALG(N)VAG(D)STDYRDYVLQCNAMEPILGLFNSNKPSLIRTAT(W)TLS(N)LCRGKKPQPDWSVVSQALPTLAKLIYSMDTETLVDACWAISYLSDGPQEAIQAVIDVRIPKRLVELLSHESTLVQTPALRAVGNI(V)T(G)NDLQTQVVINAGVLPALRLLLSSPKENIKKEACWTIS(N)ITAGNTEQIQAVIDANLIPPLVKLLEVAEYKTKKEAC(W)AISNASSGGLQRPDIIRYLVSQGCIKPLCDLLEIADNRIIEVTLDALENIIKMGEADKEARGLNINENADFIEKAGGMEKIFNCQQNENDKIYEKAYKIIETYFG 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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C=O,CC(C)[C@@H](C=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN |
[INST] Generate new ligand in SMILES that have affinity to this target PP(G)(P)P(G)(P)P(G)(I)T(G)(A)R(G)(L)A(G)(P)P(G)(P)P(G)(P)P(G)(P)PG 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]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(O)[C@@H]1C[C@@H](O)CN1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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(O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)NCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target (P)(P)(G)P(P)(G)P(P)(G)IT(G)A(R)(G)L(A)(G)P(P)(G)P(P)(G)P(P)(G)PPG 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]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)CNC(O)[C@@H]1C[C@@H](O)CN1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)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(O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(O)NCC(=O)O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target TKGLVLGIYSKEDEPQFTSAGENFNKLVSGKLREILNISGPPLKAGKTRTFYGLHEDFPSVVVVGLGKKTAGIDEQENWHEGKENIRAAVAAGCRQIQDLEIPSVEVDPCGDAQAAAEGAVLGLYEYDDLKQKRKVVVSAKLHGSEDQEAWQRGVLFASGQNLARRLMETPANEMTPTKFAEIVEENLKSASIKTDVFIRPKSWIEEQEMGSFLSVAKGSEEPPVFLEIHYKGSPNASEPPLVFVGKGITF(D)SGGISI(K)AAANMDL(M)RA(D)MGGAATICSAIVSAAKLDLPINIVGLAPLCENMPSGKANKPGDVVRARNGKTIQVDNT(D)AEGRLILADALCYAHTFNPKVIINAA(T)(L)(T)(G)(A)MD(I)ALGSGATGVFTNSSWLWNKLFEASIETGDRVWRMPLFEHYTRQVIDCQLADVNNIGKY(R)SAGACTAAAFLKEFVTHPKWAHLDIAGVMTNKDEVPYLRKGMAGRPTRTLIEFLFRFSQ 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@H](O)C(O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target MKPHPWFFGKIP(R)AKAEEMLSKQRHDGAFLI(R)E(S)(E)(S)APGDF(S)LSVKFGNDV(Q)(H)(F)(K)VLRDGAGKYF(L)(W)VVKFNSLNELVDYHRSTSVSRNQQIFLRDIE 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]1CSCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(O)[C@H](CC2CCC(O[PH](O)(O)O)CC2)NC1O |
[INST] Generate new ligand in SMILES that have affinity to this target KPHPWFFGKIP(R)AKAEEMLSKQRHDGAFLI(R)E(S)E(S)APGDF(S)LSVKFGNDVQ(H)(F)(K)VLRDGAGKYF(L)(W)VVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQ 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](CC(N)=O)NC(=O)[C@@H](NC(O)[C@H](CC1CCC(O[PH](O)(O)O)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEG(S)DA(E)(I)(G)(M)S(P)(W)QVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)R(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVA(F)S(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETWTANVGKGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVM(K)S(P)FN(N)(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG 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](C=O)Cc1ccc(O)cc1,CC(C)C[C@H](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(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc1ccc(O)cc1)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGS(D)A(E)(I)(G)(M)S(P)(W)QVML(F)RKSP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)(V)(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETWTANVGKGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVM(K)S(P)FNN(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](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=O)Cc1ccc(O)cc1,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C=O)Cc1ccc(O)cc1)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target DIKMTQSPSSMYTSLGERVTITCKASQDINS(F)LTWFLQKPGKSPKTLI(Y)(R)ANRLMIGVPSRFSGSGSGQTYSLTISSLEYEDMGIYYCLQ(Y)(D)D(F)PLTFGAGTKLDLKRADAAPTVSIFPPSSEQLTSGTASVVCFLNNFYPKEINVKWKIDGSERQNGVLDSWTEQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC 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](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target QDQLQQSGAELVRPGASVKLSCKALGYIFT(D)(Y)(E)IHWVKQTPVHGLEWIG(G)I(H)PG(S)SGT(A)YNQKFKGKATLTADKSSTTAFMELSSLTSEDSAVYYCTR(K)DYWGQGTLVTVSAAKTTAPSVYPLVPVCGGTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPALLQSGLYTLSSSVTVTSNTWPSQTITCNVAHPASSTKVDKKIEPRV 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](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target F(V)(N)(Q)(H)(L)(C)GSH(L)VEA(L)YL(V)(C)GE(R)(G)(F)(F)YT(P)KA 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 GPHSLR(Y)F(V)TAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWER(E)TQ(K)AKG(N)EQS(F)RV(D)LRT(L)LG(Y)YNQSKGGSHTIQVISGCEVGSDGRLLRGYQQ(Y)AYDGCDYIALNEDLKTWTAADMAALI(T)KH(K)(W)EQAG(E)AE(R)(L)RA(Y)LEG(T)CVE(W)LRR(Y)LKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGTFQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRW 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)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GPHSLR(Y)F(V)TAVSRPGLGEPRYMEVGYVDDTEFVRFDSDAENPRYEPRARWMEQEGPEYWE(R)(E)TQ(K)AKG(N)EQS(F)RV(D)LRT(L)LG(Y)YNQSKGGSHTIQVISGCEVGSDGRLLRGYQQ(Y)AYDGCDYIALNEDLKTWTAADMAALI(T)KH(K)(W)EQAG(E)AE(R)(L)RA(Y)LEGTCVE(W)LRRYLKNGNATLLRTDSPKAHVTHHSRPEDKVTLRCWALGFYPADITLTWQLNGEELIQDMELVETRPAGDGTFQKWASVVVPLGKEQYYTCHVYHQGLPEPLTLRW 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)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ICTAKPRDIPMNPMCIYRSPETNRRVWELSKANSRFATTFYQHLADSKNDNDNI(F)LSPL(S)IST(A)FAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKW(V)SNKTEG(R)(I)TDVIPSEAINE(L)(T)(V)(L)(V)(L)(V)(N)(T)(I)(Y)(F)K(G)LWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELP(F)KGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDD(L)(Y)(V)(S)(D)(A)(F)(H)(K)(A)(F)(L)(E)VNEEASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCV 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](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEE(G)(I)(G)LAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEE(G)C(L)SIPEQ(R)ALVPRAEKVKIRALDRDGKPFELEADGLLAI(C)IQH(E)MDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA 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](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAE(E)(G)(I)(G)LAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEE(G)CLSIPEQ(R)ALVPRAEKVKIRALDRDGKPFELEADGLLA(I)(C)IQ(H)EMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA 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](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEG(I)GLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEE(G)CLSIPEQ(R)ALVPRAEKVKIRALDRDGKPFELEADGLLAICIQ(H)(E)MDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA 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](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEE(G)(I)(G)LAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEE(G)C(L)SIPEQ(R)ALVPRAEKVKIRALDRDGKPFELEADGLLAICIQH(E)MDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA 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](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAE(E)(G)(I)(G)LAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIE(E)(G)CLSIPEQ(R)ALVPRAEKVKIRALDRDGKPFELEADGLLAICIQ(H)(E)MDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA 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](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEG(I)(G)LAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEE(G)CLSIPEQ(R)ALVPRAEKVKIRALDRDGKPFELEADGLLAI(C)IQ(H)(E)MDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKARA 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](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target KPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPKVDLEAFSHFTKIITPAITRV(V)DFA(K)KLPMFCELPCEDQ(I)ILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFL(E)VFED 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](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)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](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target KPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPKVDLEAFSHFTKIITPAITRV(V)DFA(K)KLPMFCELPCEDQ(I)ILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFL(E)VFED 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](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)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](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target (P)SQM(E)HAM(E)TMMFTFHKFAGDKGYLTKEDLRVLMEKEFPG(F)LE(N)(Q)KDPLAVDKIMKDLDQCRDGKVGFQSFFSLIAGLTIA(C)ND(Y)FVVH(M)K 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](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target (P)SQM(E)(H)AM(E)TMMFTFHKFAGDKGYLTKEDLRVLMEKEFPG(F)LE(N)(Q)KDPLAVDKIMKDLDQCRDGKVGFQSFFSLIAGLTIA(C)ND(Y)(F)VVHMK 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](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target IGWRREGIKYRRNEL(F)L(D)VLESVNLLMSPQGQVLSAHVSGRVVM(K)SYLSGMPECKFGMNDKIKQSIAIDDCTFHQCVRLSERSISFIPPDGEFELMRYRTTKDIILPFRVIPLVREVGRTKLEVKVVIKSNFKPSLLAQKIEVRIPTPLNTSGVQVICMKGKAKYKASENAIVWKIKRMAGMKESQISAEIELLPTNDKKKWARPPISMNFEVPFAPSGLKVRY(L)KVFEPKLNYSDHDVI(K)(W)(V)(R)YIGRSGIYETRC 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](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target KEEHVII(Q)AEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGR(F)(A)(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]CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target TRPRFLWQPK(R)ECHFFNGTERVR(F)LDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILE(Q)ARAAVDT(Y)CR(H)(N)YGVVESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRARSE 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](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C=O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target KEEHVII(Q)AEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFG(R)(F)(A)(S)(F)EAQGALA(N)IA(V)(D)KA(N)LEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFD 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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target TRPRFLWQPK(R)ECHFFNGTERVR(F)LDRYFYNQEESVRFDSDVGEFRAVTELGRPDAEYWNSQKDILE(Q)ARAAVDT(Y)CR(H)(N)YG(V)VESFTVQRRVQPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFLNGQEEKAGMVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAR 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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target GIKVFGHPA(S)(I)ATRRVLIALHEKNLDFELVHVELKDGEH(K)KEPFLSRNPFG(Q)(V)PAFEDGDLKLF(E)(S)RAITQYIAHRYENQGTNLLQTDSKNISQYAIMAIGMQVEDHQFDPVASKLAFEQI(F)KSIYGLTTDEAVVAEEEAKLAKVLDVYEARLKEFKYLAGETFTLTDLHHIPAIQYLLGTPTKKLFTERPRVNEWVAEITKRPASEKVQ 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)N(C(O)CSC[C@H](NC(O)CC[C@H](N)C(O)O)C(O)NCC(=O)O)C1CCC(F)CC1 |
[INST] Generate new ligand in SMILES that have affinity to this target MSMAMSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEAVKQALREAGDE(F)EL(R)(Y)RRA(F)SDLTSQLHITPGTAYQSFEQ(V)VN(E)(L)F(R)DGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVE(L)(Y)GNNAAAE(S)RKGQERLEHHHHHH 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](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C[NH3+])C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)O)[C@@H](C)CC)[C@@H](C)CC |
[INST] Generate new ligand in SMILES that have affinity to this target IVCHT(T)AT(S)(P)(I)SAVTCPPGENLCYRK(M)WC(D)AFCSS(R)(G)(K)(V)(V)ELGCAATCPSKKPYEEVTCCSTDKCNP(H)(P)(K)(Q)RPG 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]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IGWRREGIKYRRNEL(F)L(D)VLESVNLLMSPQGQVLSAHVSGRVVM(K)SYLSGMPECKFGMNDKIKQSIAIDDCTFHQCVRLSERSISFIPPDGEFELMRYRTTKDIILPFRVIPLVREVGRTKLEVKVVIKSNFKPSLLAQKIEVRIPTPLNTSGVQVICMKGKAKYKASENAIVWKIKRMAGMKESQISAEIELLPTNDKKKWARPPISMNFEVPFAPSGLKV(R)YLKVFEPKLNYSDHDV(I)(K)(W)(V)(R)YIGRSGIYETRC 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](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target QESAWGPAATIAARQSATGTKTDTPIQKVPQSISVVTAEEMALHQPKSVKEALSYTPGVSVGT(R)GASNTYDHLIIRGFAAE(G)(Q)SQNNYLNGLKLQGN(F)(Y)NDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGTDSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGY(Y)G(W)LPKEGTVEPLPNGKRLPTDFNEGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSV(Y)GYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNPVNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWADQESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSSQVGKDGNIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPEGSFFSVEGGEIRARGVEIEAKRPLSASVNVVGSYTYTDAEYTTDTTYKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDPANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREYVASC(F)NTYGCFWGAERQVVATATFRF 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]CC1O~[Fe]2345~OC(C)N(CCC[C@@H]6N[C@H](O)[C@H](CCCN(O~2)C(C)O~3)NC(O)[C@H](CCCN1O~4)NC(=O)CNC(=O)CNC(=O)CNC6O)O~5 |
[INST] Generate new ligand in SMILES that have affinity to this target PHSMR(Y)F(E)TAVSRPGLEEPRYISVGYVDNKEFVRFDSDAENPRYEPRAPWMEQEGPEYWER(E)TQ(K)AKG(Q)EQ(W)FR(V)(S)LR(N)LLG(Y)YNQSAGGSHT(L)QQMSGCDLGSDWRLLRGYLQ(F)AYEGRD(Y)IALNEDLKTWTAADMAAQI(T)RR(K)(W)EQSG(A)AEH(Y)KA(Y)LEG(E)CVE(W)LHR(Y)LKNGNATLLRTDSPKAHVTHHPRSKGEVTLRCWALGFYPADITLTWQLNGEELTQDMELVETRPAGDGTFQKWASVVVPLGKEQNYTCRVYHEGLPEPLTLRW 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]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRN(R)(Y)(R)(D)VSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVH(C)(S)(A)G(I)(G)(R)SGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLI(Q)TAEQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED 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](CC2CCC(OC(F)(C(O)O)C(O)O)CC2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(O)CSC[C@H](C(N)O)NC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)V(R)IGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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]([NH3+])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 IVEGSDAEIGMSPWQVML(F)R(K)SP(Q)E(L)LCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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]([NH3+])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 IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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]([NH3+])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 IVEGSDAEIGMSPWQVML(F)RKSP(Q)E(L)LCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CO)CC1CCC(OS(O)(O)O)CC1 |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)R(K)SP(Q)ELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)V(R)IGKHS(R)(T)(R)(Y)ERNIE(K)(I)S(M)LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCC(OS(O)(O)O)CC1)[C@H](O)N[C@@H](CC(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)I(G)(M)S(P)(W)QVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIEK(I)S(M)LEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAAS(L)LQAG(Y)(K)G(R)VTGWGNLKETWTAGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)S(P)FNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFG 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)NCC(=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](CC(C)C)C(=O)O,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MSKKDRRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)(M)I(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)KGPNTNGS(Q)F(F)ITTTPAP(H)LNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target MSKKDRRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)MI(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAP(H)LNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target KDRRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGM(A)GTGKISGKPLHYKGSTFH(R)VIKN(F)MI(Q)GGDFTKGD(G)TGGES(I)YGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAP(H)LNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target RRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)MI(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAP(H)LNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target DRRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)MI(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAPHLNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target KKDRRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)(M)I(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAP(H)LNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target KKDRRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)MI(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAP(H)LNNI(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target RRRVFLDVTIDGNLAGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFH(R)VIKN(F)MI(Q)GGDFTKGD(G)TGGESIYGGMFDDEEFVMKHDEPFVVSM(A)(N)(K)GPNTNGS(Q)F(F)ITTTPAP[H]LNN(I)(H)VVFGKVVSGQEVVTKIEYLKTNSKNRPLADVVILNCGELV 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](C)[C@@H](O)[C@H]1C(O)N[C@@H](CC)C(O)N(C)CC(O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(O)N[C@@H](C)C(=O)N[C@H](C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](CC(C)C)C(O)N(C)[C@@H](C(C)C)C(O)N1C |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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]([NH3+])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)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIEK(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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]([NH3+])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)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDAEIGMSPWQVML(F)RKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)(R)(Y)ERNIE(K)(I)S(M)LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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]([NH3+])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 IIGGEFTTIE(N)QP(W)FAAIYRRHRGGSVTYVCGGSLMS(P)CWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRC(A)(Q)(P)S(R)TI(Q)(T)I(C)LPSMYNDPQFGTSCEITGFGKEASTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEE 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](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IIGGEFTTIE(N)(Q)P(W)FAAIYRRHRGGSVTYVCGGSLMS(P)CWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRC(A)(Q)(P)S(R)TI(Q)(T)(I)(C)LPSMYNDPQFGTSCEITGFGKEASTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGRMTLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEE 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](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IIGGEFTTIE(N)QP(W)FAAIYRRHRGGSVTYVCGGSLMS(P)CWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRC(A)(Q)(P)S(R)TI(Q)(T)(I)(C)LPSMYNDPQFGTSCEITGFGKEASTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGR(M)TLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHTKEE 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](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target IIGGEFTTIE(N)QP(W)FAAIYRRHRGGSVTYVCGGSLMS(P)CWVISATHCFIDYPKKEDYIVYLGRSRLNSNTQGEMKFEVENLILHKDYSADTLAHHNDIALLKIRSKEGRC(A)(Q)(P)S(R)TI(Q)(T)I(C)LPSMYNDPQFGTSCEITGFGKEASTDYLYPEQLKMTVVKLISHRECQQPHYYGSEVTTKMLCAADPQWKTDSCQGDSGGPLVCSLQGR(M)TLTGIVSWGRGCALKDKPGVYTRVSHFLPWIRSHT 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](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target NP(V)ER(Y)VD(E)VLNEVLVVPNINQSHPTTSNAAPVLDAAETGHTNKIQPEDTIETRYVQSSQTL(D)EM(S)V(E)SFLGRSGCIHESVLDIVDNYNDQSFTKWNINLQEMAQIRRKFEMFTYARFDSEITMVPSVAAKDGHIGHIVMQYMYVPPGAPIPTTRDDYAWQSGTNASVFWQHGQPFPRF(S)LPFLSIASAYYMFYDGYDGDTYKSRYGTVVTNDMGTLCSRIVTSEQLHKVKVVTRIYHKA(K)(H)TKAWCPRPPRAVQYSHTHTTNYKLSSEVHNDVAIRPRTNLTTV 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](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCC(N)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GLPVYVTPGSGQFMTTD(D)M(Q)(S)P(C)ALPWYHPTKEIFIPGEVKNLIEMCQVDTLIPINSTQSNIGNVSMYTVTLSPQTKLAEEIFAIKVDIASHPLATTLIGEIASYFTHWTGSLRFSFMFCGTANTTLKVLLAYTPPGIGKPRSRKEAMLGTHVVWDVGLQSTVSLVVPWISASQYRFTTPDTYSSAGYITCWYQTNFVVPPNTPNTAEMLCFVSGCKDFCLRMARDTDLHKQTGPITQ 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](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCC(N)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target QILPIRFQEHLQLQNLGINPANIGFSTLTMESDKFICIREKVGEQAQVVIIDMNDPSNPIR(R)(P)(I)(S)ADSAIMNPASKVIA(L)KAGKTL(Q)I(F)N(I)EM(K)S(K)MKAHTMTDDVTFWKWISLNTVALVTDNAVYHWSMEGESQPVKMFDRHSSLAGCQIINYRTDAKQKWLLLTGISAQQNRVVGAMQLYSVDRKVSQPIEGHAASFAQFKMEGNAEESTLFCFAVRGQAGGKLHIIEVGTPPTGNQPFPKKAVDVFFPPEAQNDFPVAMQISEKHDVVFLITKYGYIHLYDLETGTCIYMNRISGETIFVTAPHEATAGIIGVNRKGQVLSVCVEEENIIPYITNVLQNPDLALRMAVRNNLAG 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](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]1(CCC(=O)O)OC1=O |
[INST] Generate new ligand in SMILES that have affinity to this target IVNG(E)EA(V)(P)(G)(S)(W)(P)(W)QVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFS(Q)TVS(A)V(C)LPSASDDFAAGTTCVTTGWGLTRY 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](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](C=O)CO)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target ANTPDRLQ(Q)ASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNG(A)(W)TLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN 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](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](C=O)CO)C(C)C |