![CNY CNY](https://data.pdbj.org/pdbjplus/data/cc/svg/CNY.svg) | CNY | 表記: | 13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-TETRAHYDROXYHEXADECAHYDRO-2H-7,10-EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE | 組成式: | C23 H44 N6 O12 | SMILES: | O1C(CN)C(O)C(O)C2NCC5OC(OC3C(OC12)C(N)CC(N)C3O)C(O)C5OC4OC(CN)C(O)C(O)C4N | InChi: | InChI=1S/C23H44N6O12/c24-2-7-13(31)15(33)10(28)21(36-7)40-19-9-4-29-11-16(34)14(32)8(3-25)37-22(11)39-18-6(27)1-5(26)12(30)20(18)41-23(38-9)17(19)35/h5-23,29-35H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 | 別名: | CYCLIC NEOMYCIN | 定義日: | 2005-06-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,3S,4R,4aR,7R,8S,9R,10S,11aR,12S,13R,15S,15aR,16aR)-13,15-diamino-2-(aminomethyl)-3,4,9,12-tetrahydroxyhexadecahydro-2H-7,10-epoxypyrano[2,3-b][1,10,4]benzodioxazacyclododecin-8-yl 2,6-diamino-2,6-dideoxy-beta-L-idopyranoside |
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![CO6 CO6](https://data.pdbj.org/pdbjplus/data/cc/svg/CO6.svg) | CO6 | 表記: | ISOBUTYRYL-COENZYME A | 組成式: | C25 H42 N7 O17 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(C)C | InChi: | InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 | 別名: | IB-CO6 | 定義日: | 2006-10-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylpropanethioate (non-preferred name) |
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![CPB CPB](https://data.pdbj.org/pdbjplus/data/cc/svg/CPB.svg) | CPB | 表記: | 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE | 組成式: | C21 H20 Cl N O5 | SMILES: | Clc4ccccc4C=2Oc1c(c(O)cc(O)c1C(=O)C=2)C3CCN(C)CC3O | InChi: | InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1 | 別名: | FLAVOPIRIDOL | 定義日: | 2000-05-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one |
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![FYP FYP](https://data.pdbj.org/pdbjplus/data/cc/svg/FYP.svg) | FYP | 表記: | ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | 組成式: | C15 H14 F N3 O3 | SMILES: | CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O | InChi: | InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | 別名: | Flumazenil | 定義日: | 2018-04-25 | 最終更新日: | 2021-03-01 | 公開日: | 2018-06-27 | 識別子(ID): | ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate |
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![G01 G01](https://data.pdbj.org/pdbjplus/data/cc/svg/G01.svg) | G01 | 表記: | N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid | 組成式: | C6 H12 N O6 P | SMILES: | O=C(O)CCC(NP(=O)(O)C)C(=O)O | InChi: | InChI=1S/C6H12NO6P/c1-14(12,13)7-4(6(10)11)2-3-5(8)9/h4H,2-3H2,1H3,(H,8,9)(H,10,11)(H2,7,12,13)/t4-/m1/s1 | 別名: | N-PHOSPHONOMETHYL-D-GLUTAMIC ACID | 定義日: | 2009-03-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid |
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![G1R G1R](https://data.pdbj.org/pdbjplus/data/cc/svg/G1R.svg) | G1R | 表記: | [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5S)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | 組成式: | C15 H23 N5 O15 P2 | SMILES: | O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3OC(O)C(O)C3O)N | InChi: | InChI=1S/C15H23N5O15P2/c16-15-18-11-6(12(25)19-15)17-3-20(11)13-9(23)7(21)4(33-13)1-31-36(27,28)35-37(29,30)32-2-5-8(22)10(24)14(26)34-5/h3-5,7-10,13-14,21-24,26H,1-2H2,(H,27,28)(H,29,30)(H3,16,18,19,25)/t4-,5-,7+,8-,9-,10-,13-,14+/m1/s1 | 別名: | GUANOSINE DIPHOSPHORIBOSE | 定義日: | 2006-08-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![G23 G23](https://data.pdbj.org/pdbjplus/data/cc/svg/G23.svg) | G23 | 表記: | (2R,4S)-2-[(R)-BENZYLCARBAMOYL-PHENYLACETYL-METHYL]-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID | 組成式: | C23 H27 N3 O4 S | SMILES: | O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)O)(C)C)Cc3ccccc3 | InChi: | InChI=1S/C23H27N3O4S/c1-23(2)19(22(29)30)26-21(31-23)18(20(28)24-14-16-11-7-4-8-12-16)25-17(27)13-15-9-5-3-6-10-15/h3-12,18-19,21,26H,13-14H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19+,21-/m1/s1 | 別名: | GR123976 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![G2K G2K](https://data.pdbj.org/pdbjplus/data/cc/svg/G2K.svg) | G2K | 表記: | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide | 組成式: | C25 H25 Cl N4 O5 | SMILES: | C2(=O)C(O)=C(C(=O)NCCc1ccccc1)N=C(N2)C3CCCN3C(COc4ccccc4Cl)=O | InChi: | InChI=1S/C25H25ClN4O5/c26-17-9-4-5-11-19(17)35-15-20(31)30-14-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-13-12-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1 | 別名: | SRI-29843 | 定義日: | 2017-07-11 | 最終更新日: | 2021-03-01 | 公開日: | 2018-01-03 | 識別子(ID): | 2-{(2S)-1-[(2-chlorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide |
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![G2R G2R](https://data.pdbj.org/pdbjplus/data/cc/svg/G2R.svg) | G2R | 表記: | [(2R,3R,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | 組成式: | C15 H23 N5 O14 P2 | SMILES: | O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O | InChi: | InChI=1S/C15H23N5O14P2/c16-15-18-12-8(13(25)19-15)17-4-20(12)14-11(24)10(23)7(33-14)3-32-36(28,29)34-35(26,27)31-2-6-9(22)5(21)1-30-6/h4-7,9-11,14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,18,19,25)/t5-,6+,7+,9-,10-,11+,14+/m0/s1 | 別名: | GUANOSINE DIPHOSPHORIBOSE INTERMEDIATE | 定義日: | 2006-08-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3R,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![G3K G3K](https://data.pdbj.org/pdbjplus/data/cc/svg/G3K.svg) | G3K | 表記: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | 組成式: | C19 H20 Cl N3 O6 | SMILES: | C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O | InChi: | InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1 | 別名: | SRI-29782 | 定義日: | 2017-07-11 | 最終更新日: | 2021-03-01 | 公開日: | 2018-01-03 | 識別子(ID): | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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![G3Q G3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/G3Q.svg) | G3Q | 表記: | R-Talinolol | 組成式: | C20 H33 N3 O3 | SMILES: | CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | InChi: | InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1 | 別名: | Talinolol | 定義日: | 2018-08-23 | 最終更新日: | 2021-03-01 | 公開日: | 2019-07-03 | 識別子(ID): | 1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea |
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![G4W G4W](https://data.pdbj.org/pdbjplus/data/cc/svg/G4W.svg) | G4W | 表記: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile | 組成式: | C20 H20 F2 N6 O | SMILES: | Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N | InChi: | InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1 | 別名: | GSK547 | 定義日: | 2018-08-28 | 最終更新日: | 2021-03-01 | 公開日: | 2018-12-12 | 識別子(ID): | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile |
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![G6M G6M](https://data.pdbj.org/pdbjplus/data/cc/svg/G6M.svg) | G6M | 表記: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide | 組成式: | C16 H19 Cl F N3 O4 | SMILES: | c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3 | InChi: | InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1 | 別名: | oxazolidinone antibiotic LZD-6 | 定義日: | 2018-05-10 | 最終更新日: | 2021-03-01 | 公開日: | 2019-03-20 | 識別子(ID): | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
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![G90 G90](https://data.pdbj.org/pdbjplus/data/cc/svg/G90.svg) | G90 | 表記: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile | 組成式: | C22 H25 N3 O2 | SMILES: | N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1 | 別名: | BUCINDOLOL | 定義日: | 2012-03-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile |
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![GAH GAH](https://data.pdbj.org/pdbjplus/data/cc/svg/GAH.svg) | GAH | 表記: | N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE | 組成式: | C38 H61 N11 O6 | SMILES: | O=C(NC(C(=O)NC(C(=O)N)CCCCNC(=[N@H])N)Cc1ccc(O)cc1)C4N(C(=O)C(NC(=O)C2CCC(CNC(=[N@H])N)CC2)CC3CCCCC3)CC4 | InChi: | InChI=1S/C38H61N11O6/c39-32(51)28(8-4-5-18-44-37(40)41)46-34(53)29(20-24-11-15-27(50)16-12-24)47-35(54)31-17-19-49(31)36(55)30(21-23-6-2-1-3-7-23)48-33(52)26-13-9-25(10-14-26)22-45-38(42)43/h11-12,15-16,23,25-26,28-31,50H,1-10,13-14,17-22H2,(H2,39,51)(H,46,53)(H,47,54)(H,48,52)(H4,40,41,44)(H4,42,43,45)/t25-,26+,28-,29+,30+,31-/m0/s1 | 別名: | TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE | 定義日: | 2004-10-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-{[(2S)-1-(N-{[cis-4-(carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexyl-D-alanyl)azetidin-2-yl]carbonyl}-D-tyrosyl-N~6~-carbamimidoyl-L-lysinamide |
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![GBJ GBJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GBJ.svg) | GBJ | 表記: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol | 組成式: | C20 H20 O4 | SMILES: | O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C | InChi: | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 | 別名: | glabridin | 定義日: | 2013-10-24 | 最終更新日: | 2021-03-01 | 公開日: | 2014-02-19 | 識別子(ID): | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol |
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![GBO GBO](https://data.pdbj.org/pdbjplus/data/cc/svg/GBO.svg) | GBO | 表記: | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate | 組成式: | C20 H35 N3 O9 P2 S | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)NCC(=C/CCC(=C/COP(=O)(O)OP(=O)(O)O)/C)/C | InChi: | InChI=1S/C20H35N3O9P2S/c1-14(10-11-31-34(29,30)32-33(26,27)28)6-5-7-15(2)12-21-18(24)9-4-3-8-17-19-16(13-35-17)22-20(25)23-19/h7,10,16-17,19H,3-6,8-9,11-13H2,1-2H3,(H,21,24)(H,29,30)(H2,22,23,25)(H2,26,27,28)/b14-10+,15-7+/t16-,17-,19-/m0/s1 | 別名: | Biotin-GPP | 定義日: | 2008-10-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2E,6E)-3,7-dimethyl-8-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)octa-2,6-dien-1-yl trihydrogen diphosphate |
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![GBX GBX](https://data.pdbj.org/pdbjplus/data/cc/svg/GBX.svg) | GBX | 表記: | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | 組成式: | C30 H27 N3 O9 S | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5 | InChi: | InChI=1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1 | 別名: | GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | L-gamma-glutamyl-S-[(9S,10S)-9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]-L-cysteinylglycine |
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![607 607](https://data.pdbj.org/pdbjplus/data/cc/svg/607.svg) | 607 | 表記: | 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | 組成式: | C24 H19 N5 O5 | SMILES: | [O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3N)c4 | InChi: | InChI=1S/C24H21N5O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10,25H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1 | 別名: | CRA_18607 | 定義日: | 2003-03-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2R)-2-(2'-amino-5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-oxidobiphenyl-3-yl)butanedioate |
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![60G 60G](https://data.pdbj.org/pdbjplus/data/cc/svg/60G.svg) | 60G | 表記: | methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate | 組成式: | C16 H18 N4 O7 S | SMILES: | COC(=O)c1ccccc1C[S](=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2 | InChi: | InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22) | 別名: | Bensulfuron methyl | 定義日: | 2016-01-07 | 最終更新日: | 2021-03-01 | 公開日: | 2016-03-16 | 識別子(ID): | methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate |
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![617 617](https://data.pdbj.org/pdbjplus/data/cc/svg/617.svg) | 617 | 表記: | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | 組成式: | C15 H12 Cl N O4 | SMILES: | Clc2ccc(OCC(=O)Nc1ccccc1C(=O)O)cc2 | InChi: | InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) | 別名: | 2-(2-(4-CHLOROPHENOXY)ACETAMIDO)BENZOIC ACID | 定義日: | 2007-06-26 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{[(4-chlorophenoxy)acetyl]amino}benzoic acid |
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![61T 61T](https://data.pdbj.org/pdbjplus/data/cc/svg/61T.svg) | 61T | 表記: | [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | 組成式: | C19 H20 F3 N5 O5 S2 | SMILES: | N[S](=O)(=O)OC[CH]1C[CH](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[CH](O)[CH]1O | InChi: | InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1 | 別名: | MLN7243 | 定義日: | 2016-01-14 | 最終更新日: | 2021-03-01 | 公開日: | 2017-06-14 | 識別子(ID): | [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate |
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![629 629](https://data.pdbj.org/pdbjplus/data/cc/svg/629.svg) | 629 | 表記: | [2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-PIPERIDIN-2-YL)- ACETIC ACID | 組成式: | C17 H25 N3 O9 | SMILES: | O=C(O)C(NC(=O)C(N)Cc1ccc(O)cc1)C2N(O)CC(O)C(O)(C2O)CO | InChi: | InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12-,13-,14-,17-/m0/s1 | 別名: | SB-239629 | 定義日: | 2001-07-05 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl](L-tyrosylamino)ethanoic acid |
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![64U 64U](https://data.pdbj.org/pdbjplus/data/cc/svg/64U.svg) | 64U | 表記: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide | 組成式: | C21 H30 Cl N3 O2 | SMILES: | O=C(NCc1cccc(Cl)c1)C3N(C(=O)C(N)CC2CCCCC2)CCC3 | InChi: | InChI=1S/C21H30ClN3O2/c22-17-9-4-8-16(12-17)14-24-20(26)19-10-5-11-25(19)21(27)18(23)13-15-6-2-1-3-7-15/h4,8-9,12,15,18-19H,1-3,5-7,10-11,13-14,23H2,(H,24,26)/t18-,19+/m1/s1 | 別名: | (2S)-1-((2R)-2-amino-3-cyclohexyl-propanoyl)-N-((3-chlorophenyl)methyl)pyrrolidine-2-carboxamide | 定義日: | 2008-07-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide |
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![655 655](https://data.pdbj.org/pdbjplus/data/cc/svg/655.svg) | 655 | 表記: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | 組成式: | C19 H20 N4 O2 | SMILES: | [O-]c4c(OC1CCCC1)cccc4c3nc2cc(ccc2n3)C(=[NH2+])N | InChi: | InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,24H,1-2,4-5H2,(H3,20,21)(H,22,23) | 別名: | CRA_10655 | 定義日: | 2003-03-14 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-6-(cyclopentyloxy)phenolate |
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