![YK8 YK8](https://data.pdbj.org/pdbjplus/data/cc/svg/YK8.svg) | YK8 | 表記: | 20alpha-hydroxy-20-(5-methylhexyl)cholesterol | 組成式: | C28 H48 O2 | SMILES: | CC(C)CCCC[C](C)(O)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C | InChi: | InChI=1S/C28H48O2/c1-19(2)8-6-7-15-28(5,30)25-12-11-23-22-10-9-20-18-21(29)13-16-26(20,3)24(22)14-17-27(23,25)4/h9,19,21-25,29-30H,6-8,10-18H2,1-5H3/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1 | 定義日: | 2020-11-17 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-10,13-dimethyl-17-[(2~{S})-7-methyl-2-oxidanyl-octan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol |
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![WOY WOY](https://data.pdbj.org/pdbjplus/data/cc/svg/WOY.svg) | WOY | 表記: | 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine | 組成式: | C6 H7 N3 | SMILES: | n2c1NCCc1cnc2 | InChi: | InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9) | 定義日: | 2020-11-02 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine |
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![XLP XLP](https://data.pdbj.org/pdbjplus/data/cc/svg/XLP.svg) | XLP | 表記: | 1,3-benzothiazole-6-carboxylic acid | 組成式: | C8 H5 N O2 S | SMILES: | n1csc2cc(C(O)=O)ccc12 | InChi: | InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11) | 定義日: | 2020-12-18 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 1,3-benzothiazole-6-carboxylic acid |
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![XLV XLV](https://data.pdbj.org/pdbjplus/data/cc/svg/XLV.svg) | XLV | 表記: | 3,4-dimethyl-1,2-oxazol-5-amine | 組成式: | C5 H8 N2 O | SMILES: | n1oc(N)c(C)c1C | InChi: | InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3 | 定義日: | 2020-12-18 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 3,4-dimethyl-1,2-oxazol-5-amine |
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![XLY XLY](https://data.pdbj.org/pdbjplus/data/cc/svg/XLY.svg) | XLY | 表記: | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one | 組成式: | C10 H12 N2 O | SMILES: | N2C(c1ccccc1NCC2C)=O | InChi: | InChI=1S/C10H12N2O/c1-7-6-11-9-5-3-2-4-8(9)10(13)12-7/h2-5,7,11H,6H2,1H3,(H,12,13) | 定義日: | 2020-12-18 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (3R)-3-methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one |
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![XM4 XM4](https://data.pdbj.org/pdbjplus/data/cc/svg/XM4.svg) | XM4 | 表記: | N-(4-chloro-2-methylphenyl)acetamide | 組成式: | C9 H10 Cl N O | SMILES: | N(c1ccc(cc1C)Cl)C(C)=O | InChi: | InChI=1S/C9H10ClNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12) | 定義日: | 2020-12-18 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | N-(4-chloro-2-methylphenyl)acetamide |
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![VR4 VR4](https://data.pdbj.org/pdbjplus/data/cc/svg/VR4.svg) | VR4 | 表記: | N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide | 組成式: | C29 H38 N4 O6 | SMILES: | C(c1ccccc1)OC(NC(C(=O)NC(C(O)C(NCc2ccccc2)=O)CC3CCNC3=O)CC(C)C)=O | InChi: | InChI=1S/C29H38N4O6/c1-19(2)15-24(33-29(38)39-18-21-11-7-4-8-12-21)27(36)32-23(16-22-13-14-30-26(22)35)25(34)28(37)31-17-20-9-5-3-6-10-20/h3-12,19,22-25,34H,13-18H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)/t22-,23-,24-,25+/m0/s1 | 別名: | GC376 alpha-ketoamide analog (bound form) | 定義日: | 2020-09-09 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide |
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![VR7 VR7](https://data.pdbj.org/pdbjplus/data/cc/svg/VR7.svg) | VR7 | 表記: | 2-hydroxy-5-(thiophen-3-yl)benzoic acid | 組成式: | C11 H8 O3 S | SMILES: | c1c(ccc(c1C(O)=O)O)c2ccsc2 | InChi: | InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14) | 定義日: | 2020-09-09 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 2-hydroxy-5-(thiophen-3-yl)benzoic acid |
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![WPS WPS](https://data.pdbj.org/pdbjplus/data/cc/svg/WPS.svg) | WPS | 表記: | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile | 組成式: | C5 H6 N4 | SMILES: | n1nc(c(C#N)c1N)C | InChi: | InChI=1S/C5H6N4/c1-3-4(2-6)5(7)9-8-3/h1H3,(H3,7,8,9) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 5-amino-3-methyl-1H-pyrazole-4-carbonitrile |
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![WPV WPV](https://data.pdbj.org/pdbjplus/data/cc/svg/WPV.svg) | WPV | 表記: | 1-(5-bromopyridin-3-yl)methanamine | 組成式: | C6 H7 Br N2 | SMILES: | n1cc(cc(c1)Br)CN | InChi: | InChI=1S/C6H7BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 1-(5-bromopyridin-3-yl)methanamine |
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![WPY WPY](https://data.pdbj.org/pdbjplus/data/cc/svg/WPY.svg) | WPY | 表記: | N-(1,3-thiazol-2-yl)acetamide | 組成式: | C5 H6 N2 O S | SMILES: | n1c(NC(=O)C)scc1 | InChi: | InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | N-(1,3-thiazol-2-yl)acetamide |
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![WQ1 WQ1](https://data.pdbj.org/pdbjplus/data/cc/svg/WQ1.svg) | WQ1 | 表記: | (4-methylpyridin-3-yl)methanol | 組成式: | C7 H9 N O | SMILES: | n1cc(CO)c(cc1)C | InChi: | InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (4-methylpyridin-3-yl)methanol |
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![WQ4 WQ4](https://data.pdbj.org/pdbjplus/data/cc/svg/WQ4.svg) | WQ4 | 表記: | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile | 組成式: | C5 H5 N3 O | SMILES: | N#Cc1c(oc(n1)C)N | InChi: | InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 5-amino-2-methyl-1,3-oxazole-4-carbonitrile |
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![WQ7 WQ7](https://data.pdbj.org/pdbjplus/data/cc/svg/WQ7.svg) | WQ7 | 表記: | 1-(2-aminoethyl)pyridin-2(1H)-one | 組成式: | C7 H10 N2 O | SMILES: | NCCN1C(C=CC=C1)=O | InChi: | InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 1-(2-aminoethyl)pyridin-2(1H)-one |
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![WQA WQA](https://data.pdbj.org/pdbjplus/data/cc/svg/WQA.svg) | WQA | 表記: | 2H-pyrazolo[3,4-b]pyridin-5-amine | 組成式: | C6 H6 N4 | SMILES: | n1c2c(cc(N)c1)cnn2 | InChi: | InChI=1S/C6H6N4/c7-5-1-4-2-9-10-6(4)8-3-5/h1-3H,7H2,(H,8,9,10) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 2H-pyrazolo[3,4-b]pyridin-5-amine |
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![WQG WQG](https://data.pdbj.org/pdbjplus/data/cc/svg/WQG.svg) | WQG | 表記: | quinazolin-4(3H)-one | 組成式: | C8 H6 N2 O | SMILES: | N2C=Nc1c(cccc1)C2=O | InChi: | InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | quinazolin-4(3H)-one |
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![WQJ WQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WQJ.svg) | WQJ | 表記: | 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine | 組成式: | C8 H10 N2 O | SMILES: | Nc2cnc1CCOCc1c2 | InChi: | InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine |
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![WQM WQM](https://data.pdbj.org/pdbjplus/data/cc/svg/WQM.svg) | WQM | 表記: | (3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide | 組成式: | C7 H8 N2 O2 | SMILES: | N(C)C(=O)C1C=CC(N=C1)=O | InChi: | InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-5H,1H3,(H,8,11)/t5-/m0/s1 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide |
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![GZ9 GZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/GZ9.svg) | GZ9 | 表記: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C30 H41 N3 O5 | SMILES: | Cc1nc(NC(=O)NC2CCCCC2)c(C)c([CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C | InChi: | InChI=1S/C30H41N3O5/c1-17-21-13-10-16-37-23(21)15-14-22(17)25-19(3)31-27(33-29(36)32-20-11-8-7-9-12-20)18(2)24(25)26(28(34)35)38-30(4,5)6/h14-15,20,26H,7-13,16H2,1-6H3,(H,34,35)(H2,31,32,33,36)/t26-/m0/s1 | 定義日: | 2020-10-09 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (2~{S})-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![WQV WQV](https://data.pdbj.org/pdbjplus/data/cc/svg/WQV.svg) | WQV | 表記: | N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide | 組成式: | C7 H7 Br N2 O2 | SMILES: | N1C(=O)C(NC(=O)C)=CC(=C1)Br | InChi: | InChI=1S/C7H7BrN2O2/c1-4(11)10-6-2-5(8)3-9-7(6)12/h2-3H,1H3,(H,9,12)(H,10,11) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide |
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![WQY WQY](https://data.pdbj.org/pdbjplus/data/cc/svg/WQY.svg) | WQY | 表記: | 1-(quinolin-3-yl)methanamine | 組成式: | C10 H10 N2 | SMILES: | n2c1ccccc1cc(CN)c2 | InChi: | InChI=1S/C10H10N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H,6,11H2 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 1-(quinolin-3-yl)methanamine |
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![WRD WRD](https://data.pdbj.org/pdbjplus/data/cc/svg/WRD.svg) | WRD | 表記: | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol | 組成式: | C10 H13 N O | SMILES: | NC2CCCc1c(cccc12)O | InChi: | InChI=1S/C10H13NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h2-3,6,9,12H,1,4-5,11H2/t9-/m1/s1 | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol |
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![WRJ WRJ](https://data.pdbj.org/pdbjplus/data/cc/svg/WRJ.svg) | WRJ | 表記: | 2H-1-benzopyran-3-carboxamide | 組成式: | C10 H9 N O2 | SMILES: | c1cccc2c1C=C(C(=O)N)CO2 | InChi: | InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 2H-1-benzopyran-3-carboxamide |
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![WRM WRM](https://data.pdbj.org/pdbjplus/data/cc/svg/WRM.svg) | WRM | 表記: | 2-(1H-benzimidazol-1-yl)-N-methylacetamide | 組成式: | C10 H11 N3 O | SMILES: | n1(CC(=O)NC)cnc2ccccc12 | InChi: | InChI=1S/C10H11N3O/c1-11-10(14)6-13-7-12-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,11,14) | 定義日: | 2020-11-04 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 2-(1H-benzimidazol-1-yl)-N-methylacetamide |
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![W9D W9D](https://data.pdbj.org/pdbjplus/data/cc/svg/W9D.svg) | W9D | 表記: | 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one | 組成式: | C24 H22 N6 O4 | SMILES: | c1cc(cc2c1C(OC2(C)C)=O)Nc4ncc(c3ocnn3)c(n4)NC(CO)c5ccccc5 | InChi: | InChI=1S/C24H22N6O4/c1-24(2)18-10-15(8-9-16(18)22(32)34-24)27-23-25-11-17(21-30-26-13-33-21)20(29-23)28-19(12-31)14-6-4-3-5-7-14/h3-11,13,19,31H,12H2,1-2H3,(H2,25,27,28,29)/t19-/m1/s1 | 定義日: | 2020-10-01 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 5-{[4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-(1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]amino}-3,3-dimethyl-2-benzofuran-1(3H)-one |
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