![J01 J01](https://data.pdbj.org/pdbjplus/data/cc/svg/J01.svg) | J01 | 表記: | (2R,3Z,5R)-3-(2-HYDROXYETHYLIDENE)-7-OXO-4-OXA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID | 組成式: | C8 H9 N O5 | SMILES: | O=C2N1C(C(/OC1C2)=C/CO)C(=O)O | InChi: | InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1 | 別名: | CLAVULANIC ACID | 定義日: | 2006-11-29 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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![1BD 1BD](https://data.pdbj.org/pdbjplus/data/cc/svg/1BD.svg) | 1BD | 表記: | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid | 組成式: | C11 H10 F3 N O3 | SMILES: | FC(F)(F)c1ccccc1C=NOCCC(=O)O | InChi: | InChI=1S/C11H10F3NO3/c12-11(13,14)9-4-2-1-3-8(9)7-15-18-6-5-10(16)17/h1-4,7H,5-6H2,(H,16,17)/b15-7+ | 別名: | (E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid | 定義日: | 2009-03-27 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid |
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![J0D J0D](https://data.pdbj.org/pdbjplus/data/cc/svg/J0D.svg) | J0D | 表記: | 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium | 組成式: | C19 H17 N2 S | SMILES: | CN4c1ccccc1SC4=[C@H]c3c2c(cccc2)[n+](cc3)C | InChi: | InChI=1S/C19H17N2S/c1-20-12-11-14(15-7-3-4-8-16(15)20)13-19-21(2)17-9-5-6-10-18(17)22-19/h3-13H,1-2H3/q+1 | 別名: | Thiazole orange | 定義日: | 2018-08-01 | 最終更新日: | 2020-06-17 | 公開日: | 2019-07-31 | 識別子(ID): | 1-methyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolin-1-ium |
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![J0M J0M](https://data.pdbj.org/pdbjplus/data/cc/svg/J0M.svg) | J0M | 表記: | D-galactonic acid | 組成式: | C6 H12 O7 | SMILES: | C(C(C(C(CO)O)O)O)(O)C(O)=O | InChi: | InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3+,4+,5-/m1/s1 | 別名: | D-galactonate | 定義日: | 2018-08-02 | 最終更新日: | 2020-06-17 | 公開日: | 2019-05-22 | 識別子(ID): | D-galactonic acid |
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![J11 J11](https://data.pdbj.org/pdbjplus/data/cc/svg/J11.svg) | J11 | 表記: | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | 組成式: | C21 H30 F N5 | SMILES: | Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m0/s1 | 別名: | N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
tetrahydrochloride | 定義日: | 2009-09-23 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine |
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![1C1 1C1](https://data.pdbj.org/pdbjplus/data/cc/svg/1C1.svg) | 1C1 | 表記: | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi
nium | 組成式: | C19 H20 Cl F N5 O2 | SMILES: | Clc1ccc(cc1F)NC(=O)C(=O)NC3c2ccccc2CC3CNC(=[NH2+])N | InChi: | InChI=1S/C19H19ClFN5O2/c20-14-6-5-12(8-15(14)21)25-17(27)18(28)26-16-11(9-24-19(22)23)7-10-3-1-2-4-13(10)16/h1-6,8,11,16H,7,9H2,(H,25,27)(H,26,28)(H4,22,23,24)/p+1/t11-,16-/m1/s1 | 別名: | [amino({[(1R,2R)-1-{[(4-chloro-3- fluorophenyl)carbamoyl]formamido}-2,3-dihydro-1H-
inden-2-yl]methyl}amino)methylidene]azanium | 定義日: | 2012-11-30 | 最終更新日: | 2020-06-17 | 公開日: | 2013-05-29 | 識別子(ID): | amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methaniminium |
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![J2B J2B](https://data.pdbj.org/pdbjplus/data/cc/svg/J2B.svg) | J2B | 表記: | O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydro
furan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate | 組成式: | C20 H28 N10 O12 P2 S2 | SMILES: | C3(C(C(n2c1c(C(N=C(N1)N)=O)nc2)OC3CO)OP(OCCC(C(C(n5c4c(c(ncn4)N)nc5)O)O)OP(=O)(O)S)(=O)S)O | InChi: | InChI=1S/C20H28N10O12P2S2/c21-14-9-15(24-4-23-14)29(5-25-9)18(35)12(33)7(41-43(36,37)45)1-2-39-44(38,46)42-13-11(32)8(3-31)40-19(13)30-6-26-10-16(30)27-20(22)28-17(10)34/h4-8,11-13,18-19,31-33,35H,1-3H2,(H,38,46)(H2,21,23,24)(H2,36,37,45)(H3,22,27,28,34)/t7-,8-,11-,12-,13-,18-,19-,44+/m1/s1 | 別名: | cleaved nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP | 定義日: | 2018-08-30 | 最終更新日: | 2020-06-17 | 公開日: | 2019-02-06 | 識別子(ID): | O-[(1R,2R,3R)-5-{[(S)-{[(2R,3R,4R,5R)-2-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}(sulfanyl)phosphoryl]oxy}-1-(6-amino-9H-purin-9-yl)-1,2-dihydroxypentan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name) |
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![1F5 1F5](https://data.pdbj.org/pdbjplus/data/cc/svg/1F5.svg) | 1F5 | 表記: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1
1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de
cahydrodicyclopenta[a,d][8]annulene-1,5-diol | 組成式: | C33 H50 O11 | SMILES: | O4C(C5OC6C(O)C(OC3C1=C(C(C)C)CCC1(C=C2C(O)(COC)CCC2C(C)C3O)C)OC(C46O5)COC)(C7OC7)C | InChi: | InChI=1S/C33H50O11/c1-16(2)18-8-10-30(4)12-20-19(9-11-32(20,36)15-38-7)17(3)24(34)26(23(18)30)41-28-25(35)27-33(22(40-28)13-37-6)43-29(42-27)31(5,44-33)21-14-39-21/h12,16-17,19,21-22,24-29,34-36H,8-11,13-15H2,1-7H3/b20-12+/t17-,19+,21+,22-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-/m1/s1 | 別名: | Cotylenin A | 定義日: | 2013-01-11 | 最終更新日: | 2020-06-17 | 公開日: | 2013-09-25 | 識別子(ID): | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,11-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5-diol (non-preferred name) |
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![1FL 1FL](https://data.pdbj.org/pdbjplus/data/cc/svg/1FL.svg) | 1FL | 表記: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID | 組成式: | C13 H8 F2 O3 | SMILES: | O=C(O)c1cc(ccc1O)c2ccc(F)cc2F | InChi: | InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) | 別名: | Diflunisal | 定義日: | 2005-07-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid |
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![1FV 1FV](https://data.pdbj.org/pdbjplus/data/cc/svg/1FV.svg) | 1FV | 表記: | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide | 組成式: | C26 H36 N6 O2 | SMILES: | O=C(NCCCNc1nc(ncc1C2CC2)Nc3cc(ccc3)CN4CCOCC4)C5CCC5 | InChi: | InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31) | 別名: | MRT67307 | 定義日: | 2013-01-18 | 最終更新日: | 2020-06-17 | 公開日: | 2013-03-06 | 識別子(ID): | N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide |
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![1GA 1GA](https://data.pdbj.org/pdbjplus/data/cc/svg/1GA.svg) | 1GA | 表記: | Geraniline | 組成式: | C16 H21 N | SMILES: | C2=C(CCC=C(CNc1ccc(cc1)C2)C)C | InChi: | InChI=1S/C16H21N/c1-13-4-3-5-14(2)12-17-16-10-8-15(7-6-13)9-11-16/h5-6,8-11,17H,3-4,7,12H2,1-2H3/b13-6?,14-5+ | 別名: | (4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene | 定義日: | 2012-01-31 | 最終更新日: | 2020-06-17 | 識別子(ID): | (4E,8E)-4,8-dimethyl-2-azabicyclo[9.2.2]pentadeca-1(13),4,8,11,14-pentaene |
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![GP7 GP7](https://data.pdbj.org/pdbjplus/data/cc/svg/GP7.svg) | GP7 | 表記: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate | 組成式: | C36 H68 N O8 P | SMILES: | O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCC | InChi: | InChI=1S/C36H68NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37)32-42-35(38)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,34H,3-6,8,10-12,14,16-33,37H2,1-2H3,(H,40,41)/b9-7+,15-13+/t34-/m1/s1 | 別名: | 1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine | 定義日: | 2009-10-16 | 最終更新日: | 2020-06-17 | 識別子(ID): | (18R,21S)-24-amino-21-hydroxy-21-oxido-15-oxo-16,20,22-trioxa-21lambda~5~-phosphatetracosan-18-yl (9E,12E)-hexadeca-9,12-dienoate |
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![GT0 GT0](https://data.pdbj.org/pdbjplus/data/cc/svg/GT0.svg) | GT0 | 表記: | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol | 組成式: | C9 H13 N O3 | SMILES: | Oc1c(c(cnc1C)CO)COC | InChi: | InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3 | 別名: | ginkgotoxin | 定義日: | 2012-04-13 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol |
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![GTF GTF](https://data.pdbj.org/pdbjplus/data/cc/svg/GTF.svg) | GTF | 表記: | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) | 組成式: | C9 H14 F2 N3 O13 P3 | SMILES: | FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP(OP(O)(=O)OP(O)(O)=O)(O)=O | InChi: | InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 | 別名: | Gemcitabine-TRIPHOSPHATE | 定義日: | 2010-04-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate) |
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![GTG GTG](https://data.pdbj.org/pdbjplus/data/cc/svg/GTG.svg) | GTG | 表記: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE | 組成式: | C21 H30 N10 O18 P3 | SMILES: | O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4=O)C(O)C6O)C)N | InChi: | InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | 別名: | MRNA CAP ANALOG N7-METHYL GPPPG | 定義日: | 2002-11-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[{[(R)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name) |
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![GW6 GW6](https://data.pdbj.org/pdbjplus/data/cc/svg/GW6.svg) | GW6 | 表記: | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoan
drosta-1,4-dien-17-yl furan-2-carboxylate | 組成式: | C27 H29 F3 O6 S | SMILES: | O=C(SCF)C5(OC(=O)c1occc1)C4(C)CC(O)C3(F)C2(C=CC(=O)C=C2C(F)CC3C4CC5C)C | InChi: | InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1 | 別名: | Fluticasone furoate | 定義日: | 2008-03-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate |
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![GY4 GY4](https://data.pdbj.org/pdbjplus/data/cc/svg/GY4.svg) | GY4 | 表記: | 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | 組成式: | C17 H16 Cl N3 O5 | SMILES: | C3(NC(C1CCCN1C(=O)Cc2ccc(Cl)cc2)=NC(=C3O)C(O)=O)=O | InChi: | InChI=1S/C17H16ClN3O5/c18-10-5-3-9(4-6-10)8-12(22)21-7-1-2-11(21)15-19-13(17(25)26)14(23)16(24)20-15/h3-6,11,23H,1-2,7-8H2,(H,25,26)(H,19,20,24)/t11-/m0/s1 | 別名: | SRI-29775 | 定義日: | 2017-07-11 | 最終更新日: | 2020-06-17 | 公開日: | 2018-01-03 | 識別子(ID): | 2-{(2S)-1-[(4-chlorophenyl)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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![GY8 GY8](https://data.pdbj.org/pdbjplus/data/cc/svg/GY8.svg) | GY8 | 表記: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropy
rimidine-4-carboxamide | 組成式: | C24 H21 Cl2 N5 O4 | SMILES: | c1(Cl)cncc(c1C(N5CCCC5C=4NC(C(O)=C(C(=O)NC2Cc3c(C2)cccc3)N=4)=O)=O)Cl | InChi: | InChI=1S/C24H21Cl2N5O4/c25-15-10-27-11-16(26)18(15)24(35)31-7-3-6-17(31)21-29-19(20(32)23(34)30-21)22(33)28-14-8-12-4-1-2-5-13(12)9-14/h1-2,4-5,10-11,14,17,32H,3,6-9H2,(H,28,33)(H,29,30,34)/t17-/m0/s1 | 別名: | SRI-29928 | 定義日: | 2017-06-22 | 最終更新日: | 2020-06-17 | 公開日: | 2017-12-27 | 識別子(ID): | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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![GYA GYA](https://data.pdbj.org/pdbjplus/data/cc/svg/GYA.svg) | GYA | 表記: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox
o-1,6-dihydropyrimidine-4-carboxamide | 組成式: | C28 H29 Cl N4 O6 S | SMILES: | C3(=O)C(O)=C(C(=O)NC2Cc1cc(OC)c(cc1C2)OC)N=C(N3)C4CCCN4C(CSc5ccccc5Cl)=O | InChi: | InChI=1S/C28H29ClN4O6S/c1-38-20-12-15-10-17(11-16(15)13-21(20)39-2)30-27(36)24-25(35)28(37)32-26(31-24)19-7-5-9-33(19)23(34)14-40-22-8-4-3-6-18(22)29/h3-4,6,8,12-13,17,19,35H,5,7,9-11,14H2,1-2H3,(H,30,36)(H,31,32,37)/t19-/m0/s1 | 別名: | SRI-30026 | 定義日: | 2017-06-28 | 最終更新日: | 2020-06-17 | 公開日: | 2018-01-03 | 識別子(ID): | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
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![OIS OIS](https://data.pdbj.org/pdbjplus/data/cc/svg/OIS.svg) | OIS | 表記: | (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3
-((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE | 組成式: | C34 H46 N6 O6 S2 | SMILES: | O=S(=O)(c1ccc(C=NO)cc1)N(CC(C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(sc3)C)C(C)C)Cc4ccccc4 | InChi: | InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1 | 別名: | OXIMINOARYLSULFONAMIDE | 定義日: | 2005-02-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(2-methylpropyl)amino]propyl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide |
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![20V 20V](https://data.pdbj.org/pdbjplus/data/cc/svg/20V.svg) | 20V | 表記: | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic
acid | 組成式: | C18 H15 N4 O14 P S2 | SMILES: | O=S(=O)(O)c3c2cc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc(c2cc([N+]([O-])=O)c3)S(=O)(=O)O | InChi: | InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20+ | 別名: | PPNDS | 定義日: | 2013-08-13 | 最終更新日: | 2020-06-17 | 公開日: | 2014-02-12 | 識別子(ID): | 3-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]-7-nitronaphthalene-1,5-disulfonic acid |
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![219 219](https://data.pdbj.org/pdbjplus/data/cc/svg/219.svg) | 219 | 表記: | cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate | 組成式: | C14 H19 O5 P | SMILES: | c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O | InChi: | InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17) | 別名: | PAS219 | 定義日: | 2003-06-20 | 最終更新日: | 2020-06-17 | 識別子(ID): | cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate |
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![224 224](https://data.pdbj.org/pdbjplus/data/cc/svg/224.svg) | 224 | 表記: | 1-({2-[2-(4-CHLOROPHENYL)ETHYL]-1,3-DIOXOLAN-2-YL}METHYL)-1H-IMIDAZOLE | 組成式: | C15 H17 Cl N2 O2 | SMILES: | Clc1ccc(cc1)CCC2(OCCO2)Cn3ccnc3 | InChi: | InChI=1S/C15H17ClN2O2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2 | 別名: | 2-[2-(4-CHLOROPHENYL)ETHYL]-2-[(1H-IMIDAZOL-1-YL)METHYL]-1,3-DIOXOLANE | 定義日: | 2006-09-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | 1-({2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolan-2-yl}methyl)-1H-imidazole |
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![OLU OLU](https://data.pdbj.org/pdbjplus/data/cc/svg/OLU.svg) | OLU | 表記: | 2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-1,3-THIAZOL-4(5H)-ONE | 組成式: | C10 H6 N2 O2 S2 | SMILES: | O=C1N=C(SC1)c2sc3c(n2)ccc(O)c3 | InChi: | InChI=1S/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2 | 別名: | OXYLUCIFERIN | 定義日: | 2005-09-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one |
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![OLV OLV](https://data.pdbj.org/pdbjplus/data/cc/svg/OLV.svg) | OLV | 表記: | cyclohexyl
[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,
16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-
yl]carbamate | 組成式: | C39 H52 N6 O9 S | SMILES: | C5(N1C(CC(C1)Oc3nc2c(ccc(c2)OC)nc3C)C(=O)NC7(C(NS(C4(CC4)C)(=O)=O)=O)C(C=CCCCCCC5NC(=O)OC6CCCCC6)C7)=O | InChi: | InChI=1S/C39H52N6O9S/c1-24-34(41-31-20-27(52-3)16-17-29(31)40-24)53-28-21-32-33(46)43-39(36(48)44-55(50,51)38(2)18-19-38)22-25(39)12-8-5-4-6-11-15-30(35(47)45(32)23-28)42-37(49)54-26-13-9-7-10-14-26/h8,12,16-17,20,25-26,28,30,32H,4-7,9-11,13-15,18-19,21-23H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b12-8-/t25-,28-,30+,32+,39-/m1/s1 | 別名: | P4-6 (NR03-67) | 定義日: | 2019-06-28 | 最終更新日: | 2020-06-17 | 公開日: | 2020-03-04 | 識別子(ID): | cyclohexyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate |
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