![O16 O16](https://data.pdbj.org/pdbjplus/data/cc/svg/O16.svg) | O16 | 表記: | 3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM | 組成式: | C24 H16 N7 O2 S | SMILES: | O=C2c1cc(ccc1C(=O)NN2)[n+]5nc(nn5c3nc4ccccc4s3)C=Cc6ccccc6 | InChi: | InChI=1S/C24H15N7O2S/c32-22-17-12-11-16(14-18(17)23(33)27-26-22)30-28-21(13-10-15-6-2-1-3-7-15)29-31(30)24-25-19-8-4-5-9-20(19)34-24/h1-14H,(H,28,29)/p+1/b13-10+ | 別名: | 2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE | 定義日: | 2003-11-13 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-(1,3-benzothiazol-2-yl)-3-(1,4-dioxo-1,2,3,4-tetrahydrophthalazin-6-yl)-5-[(E)-2-phenylethenyl]-2H-tetrazol-3-ium |
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![2S0 2S0](https://data.pdbj.org/pdbjplus/data/cc/svg/2S0.svg) | 2S0 | 表記: | [(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopen
ta[a]phenanthren-17-yl] acetate | 組成式: | C30 H37 N O4 | SMILES: | O=C5C=C1C(=C3C(CC1)C4C(C)(CC3c2ccc(N(C)C)cc2)C(OC(=O)C)(C(=O)C)CC4)CC5 | InChi: | InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1 | 別名: | ulipristal acetate | 定義日: | 2014-06-19 | 最終更新日: | 2020-06-17 | 公開日: | 2014-10-08 | 識別子(ID): | (11alpha,13alpha,17beta)-17-acetyl-11-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17-yl acetate |
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![2SJ 2SJ](https://data.pdbj.org/pdbjplus/data/cc/svg/2SJ.svg) | 2SJ | 表記: | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide | 組成式: | C21 H23 N O6 | SMILES: | O=C3C=C2C(c1c(cc(OC)c(OC)c1OC)CCC2NC(=O)C)=CC=C3O | InChi: | InChI=1S/C21H23NO6/c1-11(23)22-15-7-5-12-9-18(26-2)20(27-3)21(28-4)19(12)13-6-8-16(24)17(25)10-14(13)15/h6,8-10,15H,5,7H2,1-4H3,(H,22,23)(H,24,25)/t15-/m0/s1 | 別名: | Colchiceine | 定義日: | 2014-01-21 | 最終更新日: | 2020-06-17 | 公開日: | 2014-01-29 | 識別子(ID): | N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide |
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![2TM 2TM](https://data.pdbj.org/pdbjplus/data/cc/svg/2TM.svg) | 2TM | 表記: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine | 組成式: | C10 H18 N3 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | InChi: | InChI=1S/C10H18N3O13P3/c11-6-1-2-13(10(16)12-6)9-8(15)7(14)5(25-9)3-24-27(17,18)4-28(19,20)26-29(21,22)23/h1-2,5,7-9,14-15H,3-4H2,(H,17,18)(H,19,20)(H2,11,12,16)(H2,21,22,23)/t5-,7-,8-,9-/m1/s1 | 別名: | CMPcPP | 定義日: | 2014-01-30 | 最終更新日: | 2020-06-17 | 公開日: | 2014-05-07 | 識別子(ID): | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine |
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![O31 O31](https://data.pdbj.org/pdbjplus/data/cc/svg/O31.svg) | O31 | 表記: | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop
ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,
3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide | 組成式: | C38 H46 F4 N6 O9 S | SMILES: | C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F | InChi: | InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 | 別名: | glecaprevir | 定義日: | 2019-06-05 | 最終更新日: | 2020-06-17 | 公開日: | 2020-06-10 | 識別子(ID): | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide |
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![O33 O33](https://data.pdbj.org/pdbjplus/data/cc/svg/O33.svg) | O33 | 表記: | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-
L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | 組成式: | C40 H45 N5 O7 S2 | SMILES: | O=C(NC2c1ccccc1CC2O)C6N(C(=O)C(O)C(NC(=O)C(NC(=O)COc4c3ccncc3ccc4)CSC)Cc5ccccc5)CSC6(C)C | InChi: | InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1 | 別名: | KNI-10033 | 定義日: | 2007-04-18 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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![O34 O34](https://data.pdbj.org/pdbjplus/data/cc/svg/O34.svg) | O34 | 表記: | yersiniabactin | 組成式: | C21 H27 N3 O4 S3 | SMILES: | N1=C(SCC1C2NC(CS2)C(O)C(C3=NC(CS3)(C(O)=O)C)(C)C)c4c(O)cccc4 | InChi: | InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)/t12-,13+,15+,17+,21+/m0/s1 | 別名: | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-met
hylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid | 定義日: | 2019-06-05 | 最終更新日: | 2020-06-17 | 公開日: | 2020-03-04 | 識別子(ID): | (4S)-2-[(1S)-1-hydroxy-1-{(2R,4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl]-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
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![O48 O48](https://data.pdbj.org/pdbjplus/data/cc/svg/O48.svg) | O48 | 表記: | decyl sulfamate | 組成式: | C10 H23 N O3 S | SMILES: | O=S(=O)(OCCCCCCCCCC)N | InChi: | InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13) | 別名: | n-decyl sulfamate | 定義日: | 2009-07-20 | 最終更新日: | 2020-06-17 | 識別子(ID): | decyl sulfamate |
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![O59 O59](https://data.pdbj.org/pdbjplus/data/cc/svg/O59.svg) | O59 | 表記: | octane-1,8-diyl disulfamate | 組成式: | C8 H20 N2 O6 S2 | SMILES: | O=S(=O)(OCCCCCCCCOS(=O)(=O)N)N | InChi: | InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14) | 別名: | 1,8-Octanediol disulfamate | 定義日: | 2009-07-20 | 最終更新日: | 2020-06-17 | 識別子(ID): | octane-1,8-diyl disulfamate |
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![O6P O6P](https://data.pdbj.org/pdbjplus/data/cc/svg/O6P.svg) | O6P | 表記: | Doripenem | 組成式: | C15 H24 N4 O6 S2 | SMILES: | C2(C(SC1CC(CNS(N)(=O)=O)NC1)=C(C(O)=O)N3C2C(C3=O)C(C)O)C | InChi: | InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1 | 別名: | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-aza
bicyclo[3.2.0]hept-2-ene-2-carboxylic acid | 定義日: | 2019-06-12 | 最終更新日: | 2020-06-17 | 公開日: | 2019-08-07 | 識別子(ID): | (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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![O7B O7B](https://data.pdbj.org/pdbjplus/data/cc/svg/O7B.svg) | O7B | 表記: | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one | 組成式: | C19 H24 N2 O | SMILES: | O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5 | InChi: | InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17-/m1/s1 | 別名: | Palonosetron | 定義日: | 2020-02-17 | 最終更新日: | 2020-06-17 | 公開日: | 2020-03-04 | 識別子(ID): | (3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one |
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![O7Z O7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/O7Z.svg) | O7Z | 表記: | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | 組成式: | C17 H18 Cl2 O4 | SMILES: | CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | InChi: | InChI=1S/C17H18Cl2O4/c1-17(10-4-2-3-5-10)7-9-6-11(23-8-12(20)21)14(18)15(19)13(9)16(17)22/h6,10H,2-5,7-8H2,1H3,(H,20,21) | 別名: | indanyloxyacetic acid-94 | 定義日: | 2020-02-19 | 最終更新日: | 2020-06-17 | 公開日: | 2020-03-11 | 識別子(ID): | 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
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![P2P P2P](https://data.pdbj.org/pdbjplus/data/cc/svg/P2P.svg) | P2P | 表記: | N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE | 組成式: | C10 H13 N4 O8 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O | InChi: | InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1 | 別名: | PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER | 定義日: | 2001-07-10 | 最終更新日: | 2020-06-17 | 識別子(ID): | 7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-2-ol |
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![P2Z P2Z](https://data.pdbj.org/pdbjplus/data/cc/svg/P2Z.svg) | P2Z | 表記: | Promazine | 組成式: | C17 H20 N2 S | SMILES: | S2c1ccccc1N(c3c2cccc3)CCCN(C)C | InChi: | InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3 | 別名: | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine | 定義日: | 2013-08-23 | 最終更新日: | 2020-06-17 | 公開日: | 2014-01-22 | 識別子(ID): | N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine |
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![P3D P3D](https://data.pdbj.org/pdbjplus/data/cc/svg/P3D.svg) | P3D | 表記: | (4-{(E)-[(5-AMINOPENTYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | 組成式: | C13 H22 N3 O5 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1/C=N/CCCCCN)C | InChi: | InChI=1S/C13H22N3O5P/c1-10-13(17)12(8-15-6-4-2-3-5-14)11(7-16-10)9-21-22(18,19)20/h7-8,17H,2-6,9,14H2,1H3,(H2,18,19,20)/b15-8+ | 別名: | PHOSPHORIC ACID MONO-{4-[(5-AMINO-PENTYLIMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | 定義日: | 2007-05-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4-{(E)-[(5-aminopentyl)imino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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![P3T P3T](https://data.pdbj.org/pdbjplus/data/cc/svg/P3T.svg) | P3T | 表記: | (4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | 組成式: | C12 H22 N3 O5 P | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CNCCCCN)C | InChi: | InChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19) | 別名: | PHOSPHORIC ACID MONO-{4-[(4-AMINO-BUTYLAMINO)-METHYL]-5-HYDROXY-6-METHYL-PYRIDIN-3-YLMETHYL} ESTER | 定義日: | 2007-05-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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![P42 P42](https://data.pdbj.org/pdbjplus/data/cc/svg/P42.svg) | P42 | 表記: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate | 組成式: | C42 H88 N O8 P | SMILES: | [O-]P(=O)(OCC[N+](C)(C)C)OCC(OC(O)CCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C42H88NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40-42,44-45H,6-39H2,1-5H3/t40-,41+,42+/m0/s1 | 別名: | 1-Stearoyl-2-Palmitoyl-sn-Glycero-3-Phosphocholine | 定義日: | 2008-11-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate |
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![P4A P4A](https://data.pdbj.org/pdbjplus/data/cc/svg/P4A.svg) | P4A | 表記: | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol | 組成式: | C17 H16 N2 O3 | SMILES: | Oc3ccc(c2nnc(c2c1ccc(OC)cc1)C)c(O)c3 | InChi: | InChI=1S/C17H16N2O3/c1-10-16(11-3-6-13(22-2)7-4-11)17(19-18-10)14-8-5-12(20)9-15(14)21/h3-9,20-21H,1-2H3,(H,18,19) | 別名: | 3-(2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1h-pyrazole | 定義日: | 2007-12-05 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol |
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![P4T P4T](https://data.pdbj.org/pdbjplus/data/cc/svg/P4T.svg) | P4T | 表記: | 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE | 組成式: | C12 H12 N2 O S | SMILES: | O=C(c1sc(nc1C)Nc2ccccc2)C | InChi: | InChI=1S/C12H12N2OS/c1-8-11(9(2)15)16-12(13-8)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14) | 別名: | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone | 定義日: | 2007-09-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | 1-[4-methyl-2-(phenylamino)-1,3-thiazol-5-yl]ethanone |
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![P5M P5M](https://data.pdbj.org/pdbjplus/data/cc/svg/P5M.svg) | P5M | 表記: | 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium | 組成式: | C16 H13 O7 | SMILES: | Oc1cc(cc(OC)c1O)c3[o+]c2cc(O)cc(O)c2cc3O | InChi: | InChI=1S/C16H12O7/c1-22-14-3-7(2-11(19)15(14)21)16-12(20)6-9-10(18)4-8(17)5-13(9)23-16/h2-6H,1H3,(H4-,17,18,19,20,21)/p+1 | 別名: | Petunidin | 定義日: | 2014-10-15 | 最終更新日: | 2020-06-17 | 公開日: | 2015-01-21 | 識別子(ID): | 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium |
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![8NA 8NA](https://data.pdbj.org/pdbjplus/data/cc/svg/8NA.svg) | 8NA | 表記: | alpha-Diphosphopyridine nucleotide | 組成式: | C21 H27 N7 O14 P2 | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | InChi: | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1 | 別名: | alpha-NAD | 定義日: | 2013-08-29 | 最終更新日: | 2020-06-17 | 公開日: | 2014-08-13 | 識別子(ID): | [(2R,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphate |
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![8O7 8O7](https://data.pdbj.org/pdbjplus/data/cc/svg/8O7.svg) | 8O7 | 表記: | N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami
de | 組成式: | C22 H24 N4 O3 S2 | SMILES: | C(N)CNS(=O)(c1ccc(cc1)c2ccc(cc2)CSC4=NC=3CCCC=3C(N4)=O)=O | InChi: | InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27) | 別名: | N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfon
amide | 定義日: | 2017-02-22 | 最終更新日: | 2020-06-17 | 公開日: | 2017-07-12 | 識別子(ID): | N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfonamide |
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![P7D P7D](https://data.pdbj.org/pdbjplus/data/cc/svg/P7D.svg) | P7D | 表記: | Resminostat | 組成式: | C16 H19 N3 O4 S | SMILES: | c1cc(ccc1CN(C)C)S(n2ccc(C=CC(=O)NO)c2)(=O)=O | InChi: | InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+ | 別名: | (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide | 定義日: | 2019-08-02 | 最終更新日: | 2020-06-17 | 公開日: | 2019-12-04 | 識別子(ID): | (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamide |
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![8OR 8OR](https://data.pdbj.org/pdbjplus/data/cc/svg/8OR.svg) | 8OR | 表記: | 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one | 組成式: | C20 H24 N6 O3 S | SMILES: | C[S](=O)(=O)c1ccc(Nc2nc(N[CH]3CCCC[CH]3N)nc4C=CNC(=O)c24)cc1 | InChi: | InChI=1S/C20H24N6O3S/c1-30(28,29)13-8-6-12(7-9-13)23-18-17-16(10-11-22-19(17)27)25-20(26-18)24-15-5-3-2-4-14(15)21/h6-11,14-15H,2-5,21H2,1H3,(H,22,27)(H2,23,24,25,26)/t14-,15-/m0/s1 | 別名: | (1S,2S)-2-((4-((4-(methylsulfonyl)phenyl)amino)-5-oxo-5,6-dihydropyrido[4,3-d]pyrimidin-2-yl)amino)cyclohexan-1-aminium | 定義日: | 2017-08-23 | 最終更新日: | 2020-06-17 | 公開日: | 2018-06-27 | 識別子(ID): | 2-[[(1~{S},2~{S})-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6~{H}-pyrido[4,3-d]pyrimidin-5-one |
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![8OU 8OU](https://data.pdbj.org/pdbjplus/data/cc/svg/8OU.svg) | 8OU | 表記: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one | 組成式: | C20 H21 N7 O2 | SMILES: | Cn1ncc2cc(Nc3nc(nc4CC=NC(=O)c34)N5CCC(O)CC5)ccc12 | InChi: | InChI=1S/C20H21N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-3,7,10-11,14,28H,4-6,8-9H2,1H3,(H,23,24,25) | 別名: | 2-(4-hydroxypiperidin-1-yl)-4-((1-methyl-1H-indazol-5-yl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | 定義日: | 2017-08-23 | 最終更新日: | 2020-06-17 | 公開日: | 2018-06-27 | 識別子(ID): | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8~{H}-pyrido[4,3-d]pyrimidin-5-one |
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