text
stringlengths 356
4.19k
|
|---|
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFM(F)DFDGDE(I)(F)HVDMAKKETVWRLEEFGRF(A)(S)(F)EAQ(G)AL(A)(N)IA(V)DKA(N)LE(I)(M)TK(R)SNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFD 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target RPRFLWQLK(F)ECHFFNGTERVRLLERCIYNQEESVRFDSDVGE(Y)RAVTELGR(P)(D)AE(Y)(W)NSQKD(L)LE(Q)(R)RAAVD(T)(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](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFM(F)DFDGDE(I)(F)HVDMAKKETVWRLEEFGRF(A)(S)(F)EAQ(G)AL(A)(N)IA(V)DKA(N)LE(I)(M)TK(R)SNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWE 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target RPRFLWQLK(F)ECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGR(P)(D)AE(Y)(W)NS(Q)KDLLEQ(R)RAAVD(T)(Y)CR(H)(N)YGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFM(F)DFDGDE(I)(F)HVDMAKKETVWRLEEFGRF(A)(S)(F)EAQ(G)AL(A)(N)IA(V)DKA(N)LE(I)(M)TK(R)SNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWE 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target RPRFLWQ(L)K(F)ECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRP(D)AE(Y)(W)NS(Q)KD(L)LEQ(R)RAAVD(T)(Y)CR(H)(N)YG(V)(G)ESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRA 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target EEHVII(Q)AEFYLNPDQSGEFM(F)DFDGDEI(F)HVDMAKKETVWRLEEFGR(F)(A)(S)FEAQ(G)AL(A)(N)IA(V)DKA(N)LE(I)(M)TK(R)SNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWE 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target RPRFLWQLK(F)ECHFFNGTERVRLLERCIYNQEESVRFDSDVGE(Y)RAVTELGR(P)(D)AE(Y)(W)NSQKD(L)LE(Q)(R)RAAVD(T)(Y)CR(H)(N)YG(V)GESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAR 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](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target G(A)(Q)(V)(S)SQKVGAHESTINYTTINYYRDSASNAASKQDFSQDPSKFTEPIKDVLIKTAPMLN 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](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN |
[INST] Generate new ligand in SMILES that have affinity to this target (G)(A)(Q)(V)(S)SQKVGAHESTINYTTINYYRDSASNAASKQDFSQDPSKFTEPIKDVLIKTAPMLN 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](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN |
[INST] Generate new ligand in SMILES that have affinity to this target G(A)(Q)(V)(S)SQKVGAHESTINYTTINYYRDSASNAASKQDFSQDPSKFTEPIKDVLIKTAPMLN 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](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N.C[C@@H](O)[C@@H](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO |
[INST] Generate new ligand in SMILES that have affinity to this target (G)(A)(Q)(V)(S)SQKVGAHESTINYTTINYYRDSASNAASKQDFSQDPSKFTEPIKDVLIKTAPMLN 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](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN |
[INST] Generate new ligand in SMILES that have affinity to this target (G)(A)(Q)(V)(S)SQKVGAHESTINYTTINYYRDSASNAASKQDFSQDPSKFTEPIKDVLIKTAPMLN 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](C=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CN |
[INST] Generate new ligand in SMILES that have affinity to this target AASSLDELVALCKRRGFIFQSSEIYGGLQGVYDYGPLGVELKNNLKQAWWRRNVYERDDMEGLDASVLTHRLVLHYSGHEATFADPMVDWT(P)(P)RYFNMMFQDLRGPRGGRGLLAYLRPETAQGIFVNFKNVLDATSRKLGFGIAQIGKAFRNEITPRNFIFRVREFEQMEIEYFVRPGEDEYWHRYWVEERLKWWQEMGLSRENLVPYQQPPESSAHYAKATVDILYRFPHGSLELEGIAQRTDFDLGSHTKDQEALGITARVLRNEHSTQRLAYRDPETGKWFVPYVIEPSAGVDRGVLALLAEAFTREELPNGEERIVLKLKPQLAPIKVAVIPLVKNRPEITEYAKRLKARLLALGLGRVLYEDTGNIGKAYRRHDEVGTPFAVTVDYDTIGQSKDGTTRLKDTVTVRDRDTMEQIRLHVDELEGFLRERLRW 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(CO)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)CNC(O)CNC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)NC(O)C(C)N |
[INST] Generate new ligand in SMILES that have affinity to this target VKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLG(T)G(S)(F)GRVMLVKHKESGNHYAMKILDKQKVVK(L)(K)QIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGG(E)M(F)SHL(R)RIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDL(K)(P)(E)NLLIDQQGYIQVTDFG(F)AKRVKGRTWTLC(G)(T)P(E)YLAPEIILSKGYNKAVDWWALGVLIY(E)MAAG(Y)(P)PF(F)(A)(D)QPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDD(Y)EEEEIRVSINEKCGKEFTEF 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(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VTYEP(M)AY(M)(D)(A)(A)(Y)(F)(G)EISIGTPPQNF(L)VLFDTGSSNLWVPSVYCQSQACTSHSRFNPSESSTYSTNGQTFSLQSGSLTGFFGYDTLTV(Q)S(I)QVPNQEFGLSENEPGT(N)FV(Y)(A)(Q)FDGIMGLAYPALSVDEATTAMQGMVQEGA(L)(T)SPVFSVYLS(G)(G)(A)(V)(V)(F)GGVDSSLYTGQIYWAPVTQELYWQIGIEEFLIGGQASGWCSEGCQAIVDTGTSLLTVPQQYMSALLQATGAQEDEYGQFLVNCNSIQNLPSLTFIINGVEFPLPPSSYILSNNGYCTVGVEPTYLSSQNGQPLWILGDVFLRSYYSVYDLGNNRVGFATAA 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](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC=O)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target VTYEP(M)AY(M)(D)(A)(A)(Y)(F)(G)EISIGTPPQNF(L)VLFDTGSSNLWVPSVYCQSQACTSHSRFNPSESSTYSTNGQTFSLQYGSGSLTGFFGYDTLTV(Q)S(I)QVPNQEFGLSENEPGT(N)FV(Y)(A)(Q)FDGIMGLAYPALSVDEATTAMQGMVQEG(A)(L)(T)SPVFSVYLS(G)(G)(A)(V)(V)(F)(G)GVDSSLYTGQIYWAPVTQELYWQIGIEEFLIGGQASGWCSEGCQAIVDTGTSLLTVPQQYMSALLQATGAQEDEYGQFLVNCNSIQNLPSLTFIINGVEFPLPPSSYILSNNGYCTVGVEPTYLSSQNGQPLWILGDVFLRSYYSVYDLGNNRVGFATAA 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](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@H](C=O)CC(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MGSSEQELKAIVKDLGCGPYFLGTYDKRFPGFVSPHKLACAIVNTAGRETGGVHWMAFAWNPRSKTCYLFEPFGFS(D)QRLKQVYQFEYESLL(R)RSAIASSPD(R)(C)(I)(T)(L)(E)(K)(S)(T)(Q)SVQGPNSAACGLFCCMFLHAFANWPQTP(M)(D)HNPT(M)NL(I)T(G)VPNSMLNSPQVQPTLRRNQEQLYSFLERHSPYFRSHSAQIRSATSFCHLKNM 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)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)C[NH3+])C(C)C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target (c)CAIDQDFLDA(A)(G)ILENEAIDIWNVTNGKRFSTYAIAAERGSRI(I)(S)(V)(N)(G)AA(A)(H)CAS(V)(G)(D)(I)(V)I(I)(A)(S)(F)(V)(T)(M)P(D)EE(A)RT(W)R(P)(N)V(A)(Y)(F)EGD(N)EMK 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](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target cCAIDQDFLDA(A)[G]ILE(N)(E)(A)IDIWNVTNGKRFST(Y)AIAAERGSR(I)(I)(S)(V)(N)(G)AA(A)(H)CAS(V)(G)(D)(I)(V)I(I)(A)(S)(F)[V][T](M)P(D)EE(A)RT(W)R(P)(N)(V)(A)(Y)(F)EGD(N)EMK 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](N)CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC=O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)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)S(M)LEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETWTANVGKGQPSVLQVV(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)[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)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)N)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target (G)(W)NA(Y)IDNLMADGTCQDAAIVGYKDSPSV(W)AAVPGKTFVNITPAEVGVLVGKDRSSFYVNGLTLGGQKCSVIRDSLLQDGEFSMDLRTKSTGGAPTFNVTVTKTDKTLVLLMGKEGVHGGLINKKCYEMAS(H)LRRSQ(Y) 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]O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 |
[INST] Generate new ligand in SMILES that have affinity to this target (G)(W)NA(Y)IDNLMADGTCQDAAIVGYKDSPSVWAAVPGKTFVNITPAEVGVLVGKDRSSFYVNGLTLGGQKCSVIRDSLLQDGEFSMDLRTKSTGGAPTFNVTVTKTDKTLVLLMGKEGVHGGLINKKCYE(M)AS(H)LRR(S)Q(Y) 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]O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)(A)GPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)(A)GPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRH(N)(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)AGPNTNGS(Q)F(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)(M)C(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)AGPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)(A)GPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)(M)C(Q)GGDFTRHN(G)(T)GGKSIYGEKFEDENFILKHTGPGILSMA(N)AGPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)(A)GPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSM(A)N(A)GPNTNGSQF(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)(A)GPNTNGS(Q)F(F)ICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)(T)GGKSIYGEKFEDENFILKHTGPGILSMA(N)(A)GPNTNGS(Q)FFICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)(M)C(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)(A)GPNTNGSQF(F)ICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPGFMC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGS(Q)F(F)ICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)AGPNTNGSQF(F)ICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHNG(T)GGKSIYGEKFEDENFILKHTGPGILSMA(N)AGPNTNGSQF(F)ICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)AGPNTNGSQF(F)ICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)(A)GPNTNGSQF(F)ICTAKTE(W)LDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE 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(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)(A)GPNTNGS(Q)FFICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)AGPNTNGS(Q)FFICTAKTE(W)LDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE 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(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSMA(N)AGPNTNGS(Q)FFICTAKTE(W)(L)DGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)TGGKSIYGEKFEDENFILKHTGPGILSM(A)(N)AGPNTNGSQF(F)ICTAKTE(W)LDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE 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(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target VNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFH(R)IIPG(F)MC(Q)GGDFTRHN(G)(T)GGKSIYGEKFEDENFILKHTGPGILSMAN(A)GPNTNGS(Q)F(F)ICTAKTE(W)LDGK(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]CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(=O)N[C@@H](C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target MFEARLVQGSILKKVLEALKDLINEA(C)W(D)ISSSGVNLQS(M)DSS(H)(V)SLVQLTLRSEGFDTYRCDRNLAM(G)VNLTSMSKILKCAGNEDIITLRAEDNA(D)TLALVFEAPEKVSDYEMKL(M)(D)(L)(D)(V)(E)(Q)(L)(G)IPE(Q)EYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTSEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSA(D)V(P)LVVEYKIADMGHLKYYL(A)(P)(K)(I) 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](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)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@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target MFEARLVQGSILKKVLEALKDLINEA(C)W(D)ISSSGVNLQS(M)DSS(H)(V)SLVQLTLRSEGFDTYRCDRNLAM(G)VNLTSMSKILKCAGNEDIITLRAEDNA(D)TLALVFEAPEKVSDYEMK(L)(M)(D)(L)(D)(V)(E)(Q)(L)(G)(I)PE(Q)EYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSA(D)V(P)LVVEYKIADMGHLKY(Y)L(A)(P)(K)(I) 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](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)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@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target MFEARLVQGSILKKVLEALKDLINEA(C)W(D)ISSSGVNLQS(M)DSS(H)(V)SLVQLTLRSEGFDTYRCDRNL(A)M(G)VNLTSMSKILKCAGNEDIITLRAEDNA(D)TLALVFEAPNQEKVSDYEMKLM(D)(L)(D)(V)(E)(Q)(L)(G)(I)PE(Q)EYSCVVKMPSGEFARICRDLSHIGDAVVISCAKDGVKFSASGELGNGNIKLSQTSNVEEEAVTIEMNEPVQLTFALRYLNFFTKATPLSSTVTLSMSA(D)(V)(P)LVVEYKIADMGHLKY(Y)L(A)(P)(K)(I) 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](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)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@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CO |
[INST] Generate new ligand in SMILES that have affinity to this target APMKLYGAVM(S)W(N)LTRCATALEEAGSDYEIVPIN(F)ATAE(H)(K)SPEHLVRNPFG(Q)(V)PALQDGDLYLF(E)(S)RAICKYAARKNKPELLREGNLEEAAMVDVWIEVEANQYTAALNPILFQVLISPMLGGTTDQKVVDENLEKLKKVLEVYEARLTKCKYLAGDFLSLADLNHVSVTLCLFATPYASVLDAYPHVKAWWSGLMERPSVQKVAALM 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](O)SC[C@H](N[C@H](O)CC[C@H]([NH3+])C(O)O)C(O)NCC(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target APMKLYGAVM(S)W(N)LTRCATALEEAGSDYEIVPIN(F)ATAE(H)(K)SPEHLVRNPFG(Q)(V)PALQDGDLYLF(E)(S)RAICKYAARKNKPELLREGNLEEAAMVDVWIEVEANQYTAALNPILFQVLISPMLGGTTDQKVVDENLEKLKKVLEVYEARLTKCKYLAGDFLSLADLNHVSVTLCLFATPYASVLDAYPHVKAWWSGLMERPSVQKVAALM 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](O)SC[C@H](NC(O)CC[C@H]([NH3+])C(O)O)[C@H](O)NCC(=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)ELLCGASL(I)(S)(D)RWVLTAAHCLLYPPWDKNFTENDLLV(R)IGKHS(R)(T)(R)(Y)ERNIE(K)(I)SMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(D)YI(H)P(V)(C)(L)PDRETAASLLQAG(Y)(K)G(R)VTGWGNLKETGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFV(M)(K)SPFNN(R)(W)YQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE 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](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 MRRWFHPNIT(G)VEAENLLLTRGVDGSFLA(R)P(S)(K)(S)NPGDF(T)LSVRRNGAV(T)(H)I(K)IQNTGDYYDLYG(G)EKFATLAELVQYYMEHHGQ(L)(K)(E)(K)NGDVIELKYPLN 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](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CC1CCC(O[PH](O)(O)O)CC1)C(O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C=O)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target MRRWFHPNITGVEA(E)NLLLTRGVDGSFLA(R)P(S)(K)(S)NPGDF(T)LSVRRNGAV(T)(H)IKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQ(L)(K)EKNGDVIELKYPLN 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)C(C)C)C(=O)N[C@@H](C[C@H]1CC[C@@H](O[PH](O)(O)O)CC1)C(O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O)C(C)C)[C@@H](C)O |
[INST] Generate new ligand in SMILES that have affinity to this target RRWFHPNITGVEAENLLLTRGVDGSFLA(R)P(S)(K)(S)NPGDF(T)LSVRRNGA(V)(T)(H)I(K)IQNTGDYYDLY(G)(G)EKFATLAELVQYYMEHHGQL(K)E(K)NGDVIELKYPLN 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](N[C@H](O)[C@H](CC1CCC(O[PH](O)(O)O)CC1)NC(=O)[C@H](CCC(=O)O)NC(=O)CN)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C=O)Cc1ccccc1 |
[INST] Generate new ligand in SMILES that have affinity to this target RRWFHPNITGVEAENLLLTRGVDGSFLA(R)P(S)(K)(S)NPGDF(T)LSVRRNGAV(T)(H)(I)(K)IQNTGDYYD(L)YGGEKFATLAELVQYYMEHHGQLK(E)KNGDVIELKYPLN 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](CCSC)N[C@@H](O)[C@H](CC1CCC(O[PH](O)(O)O)CC1)NC(=O)CNC(=O)CN)C(=O)N[C@H](C)CO |
[INST] Generate new ligand in SMILES that have affinity to this target NP(V)ER(Y)VDEVLNEVLVVPNINQSHPTTSNAAPVLDAAETGHTNKIQPEDTIETRYVQSSQTLDEM(S)V(E)SFLGRSGCIHESVLDIVDNYNDQSFTKWNINLQEMAQIRRKFEMFTYARF(D)SEITMVPSVAAKDGHIGHIVMQYMYVPPGAPIPTTRDDYAWQSGTNASVFWQHGQPFPRF(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]CCCCCCCCCCCCC[C@@]12ON1C2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCC(N)=O)C(C)C.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](CC(C)C)NC(=O)[C@@H](N)CO)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]CCCCCCCCCCCCC[C@@]12ON1C2C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCC(N)=O)C(C)C.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](CC(C)C)NC(=O)[C@@H](N)CO)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 NP(V)ER(Y)VD(E)VLNEVLVVPNINQSHPTTSNAAPVLDAAETGHTNKIQPEDTIETRYVQSSQTL(D)EMSV(E)SFLGRSGCIHESVLDIVDNYNDQSFTKWNINLQEMAQIRRKFEMFTYARF(D)SEITMVPSVAAKDGHIGHIVMQYMYVPPGAPIPTTRDDYAWQSGTNASVFWQHGQPFPRF(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]CCCCCCCCCCCCC[C@@H](O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCC(N)=O)C(C)C.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](CC(C)C)NC(=O)[C@@H](N)CO)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)ALPWYHPTKEIFIPGEV(K)NLIEMCQVDTLIPINSTQSNIGNVSMYTVTLSPQTKLAEEIFAIKVDIASHPLATTLIGEIASYFTHWTGSLRFSFMFCGTANTTLKVLLAYTPPGIGKPRSRKEAMLGTHVVWDVGLQSTVSLVVPWISASQYRFTTPDTYSSAGYITCWYQTNFVVPPNTPNTAEMLCFVSGCKDFCLRMARDTDLHKQTGPITQ 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]CCCCCCCCCCCCC[C@@H](O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C=O)CCC(N)=O)C(C)C.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](CC(C)C)NC(=O)[C@@H](N)CO)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 MEAIAKVDFKATAD(D)(E)LSFKRGDILKVLNEES(D)Q(N)(W)YKAELNGKDGFIPK(N)(Y)IEMK 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)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target VTLFVAL(Y)D(Y)EARTEDDLSFHKGEKFQILNSSEG(D)(W)WEARSLTTGETGYI(P)S(N)(Y)VAPV 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](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)O)[C@@H](C)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]NCCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target SAEYVRAL(F)DFNG(N)DEE(D)LPFKKGDILRIRDKP(E)E(Q)(W)WNAEDSEGKRGMIPVP(Y)VEKYH 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]1CCCN1CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](C)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C=O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDG(E)T(R)(K)(V)K(A)(H)SQTHRV(D)LGT(L)RGYYNQSEAGSHTVQ(R)M(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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQR(M)EPRAPWIEQEGPEYWDG(E)T(R)(K)(V)K(A)(H)SQTHRV(D)LGT(L)RGYYNQSEAGSHTVQ(R)M(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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(C)C)C(=O)O |
[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)LCTY(Y)YEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDT(R)HQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(O)[C@H](CC1CCCC2CCCCC21)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target GSHSMR(Y)FFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDG(E)TR(K)(V)KA(H)SQ(T)HRV(D)LGT(L)RGYYNQSEAGSHTVQ(R)M(Y)GCDVGSDWRFLRGYHQ(Y)AYDGKD(Y)IALKEDLRSWTAADMAAQTTKHK(W)EAAH(V)AE(Q)LRA(Y)LEGTCVE(W)LRR(Y)LENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWE 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](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C)C(C)C)[C@@H](C)O.CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@H](C=O)CC(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YL(V)(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)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 F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YL(V)(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)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 F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YL(V)(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)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)(N)MPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTF(L)DT(R)(H)QGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNN(T)AHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYYYVNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(O)[C@H](CCC1CCCCC1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YL(V)(C)GE(R)(G)(F)(F)YTPK(A) 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 F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YLV(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)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 F(V)N(Q)(H)(L)(C)GSHLVEA(L)YLV(C)GE(R)(G)(F)(F)YTPK(A) 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 F(V)N(Q)(H)(L)(C)GSHLVEA(L)YLV(C)GE(R)(G)(F)(F)YTPK(A) 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 F(V)(N)(Q)(H)(L)(C)GSHLVEA(L)YL(V)(C)GE(R)(G)(F)(F)YT(P)K(A) 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 F(V)(N)(Q)(H)(L)(C)GSH(L)VEA(L)YL(V)(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)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 F(V)(N)(Q)(H)(L)(C)GSH(L)VEA(L)YLV(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)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]NCCCC[C@H](NC(O)[C@H](CCCN)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDT(R)HQGTFDVA(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]CSCC[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 ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDPYLCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDTRHQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)(N)MPIELFQKLKKEIPNEVRVDP(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@H](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 ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDT(R)HQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNN(T)AHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(O)[C@H](CC1CCCCC1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDPYLCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQEWKTFLDTRHQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(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]NCCCC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDPYLCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(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]NCCCC[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDTRHQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(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]NCCCC[C@H](N[C@H](O)[C@H](CCN)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[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]NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(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]NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PESNVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTAPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDTRHQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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](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 ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMT(Y)(N)NMPIELFQKLKKEIPNEVRVDP(Y)LCTYYYEINNQKAPFNDVRVRTALKLALDRDIIVNKVKNQGDLPAYSYTPPYTDGAKLVEPEWFKWSQQKRNEEAKKLLAEAGFTADKPLTFDLLYNTSDLHKKLAIAVASIWKKNLGVNVNLENQE(W)KTFLDTRHQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSS(N)N(T)AHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYYYVNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGSDA(E)(I)(G)(M)S(P)(W)QVMLFR(K)SP(Q)ELLCGASLI(S)DRWVLTAAHCLLYPPWDKNFTENDL(L)VRIGKHS(R)(T)R(Y)ERNIE(K)(I)S(M)LEKIYIHPRYNWRENLDRDIALMKLKKPVAFS(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)[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)C(=O)N[C@H](C=O)CC(=O)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](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(O)N[C@@H](CC(C)C)C(=O)O |
[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]NCCCC[C@H](NC(O)[C@H](CN)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target ADVPAGVQLADKQTLVRNNGSEVQSLDPHKI(E)(G)(V)PE(S)NVSRDLFEGLLISDVEGHPSPGVAEKWENKDFKVWTFHLRENAKWSDGTPVTAHDFVYSWQRLADPNTASP(Y)ASYLQYGHIANIDDIIAGKKPATDLGVKALDDHTFEVTLSEPVPYFYKLLVHPSVSPVPKSAVEKFGDKWTQPANIVTNGAYKLKNWVVNERIVLERNPQYWDNAKTVINQVTYLPISSEVTDVNRYRSGEIDMTY(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]NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[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)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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]NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCCN)C(=O)O |
[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]CCC[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 PQITLWQRPLVTIRIGGQLKEALL(D)T(G)(A)(D)(D)TVLEEMNLPGKWKPKMI(G)(G)(I)GGFIKVRQYDQIPVEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF 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@H](O)[C@@H]1C[C@H]2CC[C@H](CC2)OCCCC(O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](C(N)=O)C(C)C |
[INST] Generate new ligand in SMILES that have affinity to this target PQITLWQRPLVTIRIGGQLKEALL(D)T(G)(A)(D)DTVLEEMNLPGKWKPKMI(G)G(I)GGFIKVRQYDQIPVEIAGHKAIGTVLVGPTP(V)N(I)IGRNLLTQIGATLNF 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@H](O)[C@@H]1C[C@H]2CC[C@H](CC2)OCCCC(O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)N[C@H](C(N)=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)KTFLDT(R)HQGTFDVA(R)A(G)(W)(C)A(D)YNEPTSFLNTMLSDSSNNTAHYKSPAFDKLIADTLKVADDTQRSELYAKAEQQLDKDSAIVPVYY(Y)VNARLVKPWVGGYTGKDPLDNIYVKNLYIIKH 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](N)CCCCN)[C@H](O)N[C@@H](CCCCN)C(=O)O |
[INST] Generate new ligand in SMILES that have affinity to this target IVEGS(D)A(E)IG(M)S(P)(W)QVMLFRKSPQELLCGASLISDRWVLTAA(H)CLLYPP(W)DKNFTENDLLVRIGKHSRYERNIEKISMLEKIYIHPRYNWRE(N)(L)DRDIALMKLKKPVAFS(D)YI(H)(P)V(C)LPDRETAAS(L)LQAG(Y)(K)G(R)VTGWGNLKEGQPSVLQVV(N)LPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRG(D)(A)CEGD(S)GGPFVM(K)S(P)FN(N)(R)(W)YQMGIV(S)(W)(G)EGCDRDGKIGFYTHVFRLKKWIQKVIDQ 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](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,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 |