![9RI 9RI](https://data.pdbj.org/pdbjplus/data/cc/svg/9RI.svg) | 9RI | Name: | N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine | Formula: | C14 H26 N2 O2 | SMILES: | CN(CCCCC(N)C(=O)O)C1CC2CCC1C2 | InChi: | InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12-,13-/m0/s1 | Definition date: | 2021-10-26 | Last modified: | 2024-07-16 | Release date: | 2021-11-17 | Identifier: | N~6~-[(1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine |
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![GFX GFX](https://data.pdbj.org/pdbjplus/data/cc/svg/GFX.svg) | GFX | Name: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical | Formula: | C10 H16 F N O3 | SMILES: | FC1=C(C(=O)OC)C(C)(C)N(O)C1(C)C | InChi: | InChI=1S/C10H16FNO3/c1-9(2)6(8(13)15-5)7(11)10(3,4)12(9)14/h14H,1-5H3 | Definition date: | 2023-07-20 | Last modified: | 2024-07-15 | Release date: | 2024-06-05 | Identifier: | methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate |
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![ZQT ZQT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZQT.svg) | ZQT | Name: | 9H-xanthene-1,3,6,8-tetrol | Formula: | C13 H10 O5 | SMILES: | Oc1cc(O)cc2Oc3cc(O)cc(O)c3Cc21 | InChi: | InChI=1S/C13H10O5/c14-6-1-10(16)8-5-9-11(17)2-7(15)4-13(9)18-12(8)3-6/h1-4,14-17H,5H2 | Definition date: | 2023-07-03 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | 9H-xanthene-1,3,6,8-tetrol |
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![WUO WUO](https://data.pdbj.org/pdbjplus/data/cc/svg/WUO.svg) | WUO | Name: | acyl-phosphatidyl-myo-inositol dimannoside (AcPIM2) | Formula: | C72 H135 O24 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C72H135O24P/c1-5-8-11-14-17-19-21-23-25-27-29-35-41-46-57(75)89-51-55-60(78)62(80)67(85)72(93-55)95-69-65(83)63(81)64(82)68(94-71-66(84)61(79)59(77)54(48-73)92-71)70(69)96-97(86,87)90-50-53(91-58(76)47-42-37-30-28-26-24-22-20-18-15-12-9-6-2)49-88-56(74)45-40-36-32-31-34-39-44-52(4)43-38-33-16-13-10-7-3/h52-55,59-73,77-85H,5-51H2,1-4H3,(H,86,87)/t52-,53-,54-,55-,59-,60-,61+,62+,63+,64+,65-,66+,67+,68-,69-,70+,71-,72-/m1/s1 | Synonyms: | [(2R)-2-[(10E,13E)-hexadeca-10,13-dienoyl]oxy-3-[[(1S,2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10R)-10-methyloctadecanoate | Definition date: | 2023-05-18 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | [(2~{R})-2-hexadecanoyloxy-3-[[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hexadecanoyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-propyl] (10~{R})-10-methyloctadecanoate |
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![U1O U1O](https://data.pdbj.org/pdbjplus/data/cc/svg/U1O.svg) | U1O | Name: | N-(9-oxidanylidenethioxanthen-2-yl)ethanamide | Formula: | C15 H11 N O2 S | SMILES: | CC(=O)Nc1ccc2Sc3ccccc3C(=O)c2c1 | InChi: | InChI=1S/C15H11NO2S/c1-9(17)16-10-6-7-14-12(8-10)15(18)11-4-2-3-5-13(11)19-14/h2-8H,1H3,(H,16,17) | Definition date: | 2023-05-11 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | ~{N}-(9-oxidanylidenethioxanthen-2-yl)ethanamide |
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![VRW VRW](https://data.pdbj.org/pdbjplus/data/cc/svg/VRW.svg) | VRW | Name: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid | Formula: | C23 H19 Cl2 N3 O4 | SMILES: | N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O | InChi: | InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1 | Synonyms: | JPH203 | Definition date: | 2023-08-10 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | (2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid |
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![A1APU A1APU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APU.svg) | A1APU | Name: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide | Formula: | C36 H35 N3 O4 S | SMILES: | CNC(=O)C(Cc1ccc(C)c(OC)c1)NC(=O)CSc1ccc2ccccc2c1c1cncc(OCc2ccccc2)c1 | InChi: | InChI=1S/C36H35N3O4S/c1-24-13-14-26(18-32(24)42-3)17-31(36(41)37-2)39-34(40)23-44-33-16-15-27-11-7-8-12-30(27)35(33)28-19-29(21-38-20-28)43-22-25-9-5-4-6-10-25/h4-16,18-21,31H,17,22-23H2,1-3H3,(H,37,41)(H,39,40)/t31-/m0/s1 | Definition date: | 2024-04-26 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | Nalpha-[({(1M)-1-[5-(benzyloxy)pyridin-3-yl]naphthalen-2-yl}sulfanyl)acetyl]-3-methoxy-N,4-dimethyl-L-phenylalaninamide |
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![A1APV A1APV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APV.svg) | A1APV | Name: | Naloxone | Formula: | C19 H21 N O4 | SMILES: | O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c54 | InChi: | InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 | Synonyms: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one | Definition date: | 2024-04-26 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | 3,14-dihydroxy-17-(prop-2-en-1-yl)-5alpha-4,5-epoxymorphinan-6-one |
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![A1AWT A1AWT](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AWT.svg) | A1AWT | Name: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide | Formula: | C17 H15 F3 N6 O2 | SMILES: | FC(F)(F)C(C)n1cnnc1c1cccc(NC(=O)c2cccnc2OC)n1 | InChi: | InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-22-25-14(26)12-6-3-7-13(23-12)24-15(27)11-5-4-8-21-16(11)28-2/h3-10H,1-2H3,(H,23,24,27)/t10-/m0/s1 | Definition date: | 2024-07-06 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide |
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![A1H1V A1H1V](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H1V.svg) | A1H1V | Name: | 3-O-sulfo-alpha-L-idopyranuronic acid | Formula: | C6 H10 O10 S | SMILES: | O[CH]1O[CH]([CH](O)[CH](O[S](O)(=O)=O)[CH]1O)C(O)=O | InChi: | InChI=1S/C6H10O10S/c7-1-3(16-17(12,13)14)2(8)6(11)15-4(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4+,6+/m0/s1 | Synonyms: | O3-SULFO-GLUCURONIC ACID | Definition date: | 2024-01-09 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | (2~{R},3~{R},4~{S},5~{R},6~{R})-3,5,6-tris(oxidanyl)-4-sulfooxy-oxane-2-carboxylic acid |
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![A1AAG A1AAG](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AAG.svg) | A1AAG | Name: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid | Formula: | C14 H25 N2 O8 P | SMILES: | OC(=O)CCC(CP(=O)(O)CCC(NC(C)=O)C(=O)NCC)C(=O)O | InChi: | InChI=1S/C14H25N2O8P/c1-3-15-13(20)11(16-9(2)17)6-7-25(23,24)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H,23,24)/t10-,11+/m1/s1 | Definition date: | 2023-12-14 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | (2S)-2-{[(S)-[(3S)-3-acetamido-4-(ethylamino)-4-oxobutyl](hydroxy)phosphoryl]methyl}pentanedioic acid |
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![A1AE2 A1AE2](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AE2.svg) | A1AE2 | Name: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol | Formula: | C33 H51 N5 O4 | SMILES: | CC(C)NCC(O)COc1ccc(CCCCn2cc(nn2)CCCNCC(O)COc2ccccc2CCC)cc1 | InChi: | InChI=1S/C33H51N5O4/c1-4-10-28-12-5-6-14-33(28)42-25-30(39)21-34-19-9-13-29-23-38(37-36-29)20-8-7-11-27-15-17-32(18-16-27)41-24-31(40)22-35-26(2)3/h5-6,12,14-18,23,26,30-31,34-35,39-40H,4,7-11,13,19-22,24-25H2,1-3H3 | Definition date: | 2024-02-19 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol |
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![A1IDX A1IDX](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IDX.svg) | A1IDX | Name: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid | Formula: | C19 H23 Cl F N3 O4 | SMILES: | CC(C)C[CH](N[CH](Cc1cncn1Cc2cc(F)cc(Cl)c2)C(O)=O)C(O)=O | InChi: | InChI=1S/C19H23ClFN3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)/t16-,17-/m0/s1 | Definition date: | 2024-06-06 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid |
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![A1IF8 A1IF8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IF8.svg) | A1IF8 | Name: | azanylidene-[2-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium | Formula: | C32 H53 F2 N8 O8 | SMILES: | CCCC[CH](NC(=O)[CH]1CC(F)(F)CN1C(=O)[CH](C)NC(=O)CN=[N+]=N)C(=O)N[CH](CC2CCCCC2)[C]3(O)O[CH](C)[CH](NC[C]3(C)O)C=O | InChi: | InChI=1S/C32H52F2N8O8/c1-5-6-12-22(39-28(46)24-14-31(33,34)18-42(24)29(47)19(2)38-26(44)15-37-41-35)27(45)40-25(13-21-10-8-7-9-11-21)32(49)30(4,48)17-36-23(16-43)20(3)50-32/h16,19-25,35-36,48-49H,5-15,17-18H2,1-4H3,(H2-,38,39,40,44,45,46)/p+1/t19-,20+,22-,23+,24-,25-,30+,32-/m0/s1 | Synonyms: | epoxyketone inhibitor LU-001i | Definition date: | 2024-06-27 | Last modified: | 2024-07-12 | Release date: | 2024-07-17 | Identifier: | azanylidene-[2-[[(2~{S})-1-[(2~{S})-2-[[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-4,4-bis(fluoranyl)pyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]imino-azanium |
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![A1IFK A1IFK](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IFK.svg) | A1IFK | Name: | tert-butyl 4-[2-[[(2S)-1-[[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate | Formula: | C47 H70 N6 O11 | SMILES: | COc1ccc(C[CH](NC(=O)[CH](COCc2ccccc2)NC(=O)CN3CCN(CC3)C(=O)OC(C)(C)C)C(=O)N[CH](CC4CCCCC4)[C]5(O)O[CH](C)[CH](NC[C]5(C)O)C=O)cc1 | InChi: | InChI=1S/C47H70N6O11/c1-32-38(28-54)48-31-46(5,59)47(60,63-32)40(26-33-13-9-7-10-14-33)51-42(56)37(25-34-17-19-36(61-6)20-18-34)50-43(57)39(30-62-29-35-15-11-8-12-16-35)49-41(55)27-52-21-23-53(24-22-52)44(58)64-45(2,3)4/h8,11-12,15-20,28,32-33,37-40,48,59-60H,7,9-10,13-14,21-27,29-31H2,1-6H3,(H,49,55)(H,50,57)(H,51,56)/t32-,37+,38-,39+,40+,46-,47+/m1/s1 | Synonyms: | epoxyketone inhibitor 13 | Definition date: | 2024-06-24 | Last modified: | 2024-07-06 | Release date: | 2024-07-10 | Identifier: | ~{tert}-butyl 4-[2-[[(2~{S})-1-[[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate |
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![A1IFL A1IFL](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IFL.svg) | A1IFL | Name: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide | Formula: | C36 H57 N5 O10 | SMILES: | COc1ccc(C[CH](NC(=O)[CH](CCO)NC(=O)CN2CCOCC2)C(=O)N[CH](CC3CCCCC3)[C]4(O)O[CH](C)[CH](NC[C]4(C)O)C=O)cc1 | InChi: | InChI=1S/C36H57N5O10/c1-24-30(22-43)37-23-35(2,47)36(48,51-24)31(20-25-7-5-4-6-8-25)40-34(46)29(19-26-9-11-27(49-3)12-10-26)39-33(45)28(13-16-42)38-32(44)21-41-14-17-50-18-15-41/h9-12,22,24-25,28-31,37,42,47-48H,4-8,13-21,23H2,1-3H3,(H,38,44)(H,39,45)(H,40,46)/t24-,28+,29+,30-,31+,35-,36+/m1/s1 | Synonyms: | epoxyketone inhibitor 42 | Definition date: | 2024-06-24 | Last modified: | 2024-07-06 | Release date: | 2024-07-10 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-[[(1~{S})-2-cyclohexyl-1-[(2~{R},3~{S},6~{R},7~{S})-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide |
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![YKO YKO](https://data.pdbj.org/pdbjplus/data/cc/svg/YKO.svg) | YKO | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid | Formula: | C23 H23 F N4 O5 | SMILES: | C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4C5=CNC(=O)C(=C5)F | InChi: | InChI=1S/C23H23FN4O5/c1-11(28-10-23(33-22(28)32)6-12(7-23)8-25)14-3-2-4-15-17(19(21(30)31)27-18(14)15)13-5-16(24)20(29)26-9-13/h2-5,9,11-12,27H,6-8,10,25H2,1H3,(H,26,29)(H,30,31)/t11-,12-,23-/m0/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-fluoranyl-6-oxidanylidene-1~{H}-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid |
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![YKZ YKZ](https://data.pdbj.org/pdbjplus/data/cc/svg/YKZ.svg) | YKZ | Name: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid | Formula: | C23 H24 N4 O5 | SMILES: | C[CH](N1C[C]2(C[CH](CN)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5cncc(O)c5 | InChi: | InChI=1S/C23H24N4O5/c1-12(27-11-23(32-22(27)31)6-13(7-23)8-24)16-3-2-4-17-18(14-5-15(28)10-25-9-14)20(21(29)30)26-19(16)17/h2-5,9-10,12-13,26,28H,6-8,11,24H2,1H3,(H,29,30)/t12-,13-,23-/m0/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(5-oxidanylpyridin-3-yl)-1~{H}-indole-2-carboxylic acid |
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![YL9 YL9](https://data.pdbj.org/pdbjplus/data/cc/svg/YL9.svg) | YL9 | Name: | 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | Formula: | C24 H26 F N3 O6 S | SMILES: | C[CH](N1C[CH](CCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4 | InChi: | InChI=1S/C24H26FN3O6S/c1-13(28-11-16(8-9-26)34-24(28)31)17-4-3-5-18-20(22(23(29)30)27-21(17)18)14-6-7-15(19(25)10-14)12-35(2,32)33/h3-7,10,13,16,27H,8-9,11-12,26H2,1-2H3,(H,29,30)/t13-,16?/m0/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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![YLH YLH](https://data.pdbj.org/pdbjplus/data/cc/svg/YLH.svg) | YLH | Name: | 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | Formula: | C25 H28 F N3 O6 S | SMILES: | C[CH](N1C[CH](CCCN)OC1=O)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(F)c4 | InChi: | InChI=1S/C25H28FN3O6S/c1-14(29-12-17(5-4-10-27)35-25(29)32)18-6-3-7-19-21(23(24(30)31)28-22(18)19)15-8-9-16(20(26)11-15)13-36(2,33)34/h3,6-9,11,14,17,28H,4-5,10,12-13,27H2,1-2H3,(H,30,31)/t14-,17?/m0/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 7-[(1~{S})-1-[5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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![VTM VTM](https://data.pdbj.org/pdbjplus/data/cc/svg/VTM.svg) | VTM | Name: | [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid | Formula: | C22 H25 F3 N5 O3 P S | SMILES: | CSc1ccc(CO[P](C)(O)=O)cc1Nc2nc(cc(c2C#N)C(F)(F)F)N3C[CH]4CNC[CH]4C3 | InChi: | InChI=1S/C22H25F3N5O3PS/c1-34(31,32)33-12-13-3-4-19(35-2)18(5-13)28-21-16(7-26)17(22(23,24)25)6-20(29-21)30-10-14-8-27-9-15(14)11-30/h3-6,14-15,27H,8-12H2,1-2H3,(H,28,29)(H,31,32)/t14-,15+ | Definition date: | 2023-03-31 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid |
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![YMB YMB](https://data.pdbj.org/pdbjplus/data/cc/svg/YMB.svg) | YMB | Name: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | Formula: | C26 H29 F N4 O6 S | SMILES: | C[CH](N1C[CH](CN2CC(N)C2)OC1=O)c3cccc4c3[nH]c(C(O)=O)c4c5ccc(C[S](C)(=O)=O)c(F)c5 | InChi: | InChI=1S/C26H29FN4O6S/c1-14(31-12-18(37-26(31)34)11-30-9-17(28)10-30)19-4-3-5-20-22(24(25(32)33)29-23(19)20)15-6-7-16(21(27)8-15)13-38(2,35)36/h3-8,14,17-18,29H,9-13,28H2,1-2H3,(H,32,33)/t14-,18-/m0/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 7-[(1~{S})-1-[5-[(3-azanylazetidin-1-yl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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![YMF YMF](https://data.pdbj.org/pdbjplus/data/cc/svg/YMF.svg) | YMF | Name: | 7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid | Formula: | C21 H25 N5 O4 | SMILES: | C[CH](CN)C[CH]1CN([CH](C)c2cccc3c2[nH]c(C(O)=O)c3c4c[nH]nc4)C(=O)O1 | InChi: | InChI=1S/C21H25N5O4/c1-11(7-22)6-14-10-26(21(29)30-14)12(2)15-4-3-5-16-17(13-8-23-24-9-13)19(20(27)28)25-18(15)16/h3-5,8-9,11-12,14,25H,6-7,10,22H2,1-2H3,(H,23,24)(H,27,28)/t11-,12+,14-/m1/s1 | Definition date: | 2023-06-19 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | 7-[(1~{S})-1-[(5~{R})-5-[(2~{R})-3-azanyl-2-methyl-propyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid |
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![Z5I Z5I](https://data.pdbj.org/pdbjplus/data/cc/svg/Z5I.svg) | Z5I | Name: | (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid | Formula: | C11 H9 N O2 | SMILES: | OC(=O)C=Cc1c[nH]c2ccccc12 | InChi: | InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+ | Definition date: | 2023-06-22 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | (~{E})-3-(1~{H}-indol-3-yl)prop-2-enoic acid |
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![VUL VUL](https://data.pdbj.org/pdbjplus/data/cc/svg/VUL.svg) | VUL | Name: | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-decanoylsulfamate | Formula: | C20 H32 N6 O7 S | SMILES: | CCCCCCCCCC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 | Definition date: | 2023-08-18 | Last modified: | 2024-07-05 | Release date: | 2024-07-10 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-decanoylsulfamate |
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