![ZSP ZSP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZSP.svg) | ZSP | 表記: | 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one | 組成式: | C9 H11 N5 O3 | SMILES: | O=C1C=2N=C(C(O)=C(O)C)CNC=2N=C(N)N1 | InChi: | InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3- | 別名: | Sepiapterin (enol-form) | 定義日: | 2013-12-20 | 最終更新日: | 2021-03-01 | 公開日: | 2014-07-16 | 識別子(ID): | 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one |
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![VDY VDY](https://data.pdbj.org/pdbjplus/data/cc/svg/VDY.svg) | VDY | 表記: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL | 組成式: | C27 H44 O2 | SMILES: | OC3CC(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)/C(=C)CC3 | InChi: | InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 | 別名: | 25-HYDROXYVITAMIN D3 | 定義日: | 2001-05-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3S,5Z,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-3,25-diol |
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![YOL YOL](https://data.pdbj.org/pdbjplus/data/cc/svg/YOL.svg) | YOL | 表記: | [[2,2'-[4-CARBOXY-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | 組成式: | C21 H14 Fe N2 O4 | SMILES: | O=C(O)c6ccc1c([N+]4=Cc5ccccc5O[Fe]24Oc3c(C=[N+]12)cccc3)c6 | InChi: | InChI=1S/C21H16N2O4.Fe/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25 | 別名: | SALOPHEN-10-CARBOXYLATE IRON CHELATE | 定義日: | 2005-03-09 | 最終更新日: | 2021-03-01 | 識別子(ID): | [3,4-bis({[2-(hydroxy-kappaO)phenyl]methylidene}amino-kappaN)benzoato(2-)]iron(2+) |
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![YOM YOM](https://data.pdbj.org/pdbjplus/data/cc/svg/YOM.svg) | YOM | 表記: | 2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-)-N,N',O,O']-IRON | 組成式: | C20 H14 Fe N2 O2 | SMILES: | O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6 | InChi: | InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24 | 別名: | SALOPHEN IRON CHELATE | 定義日: | 2005-03-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | [2,2'-{benzene-1,2-diylbis[(nitrilo-kappaN)methylylidene]}diphenolato(2-)-kappaO]iron(2+) |
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![XPE XPE](https://data.pdbj.org/pdbjplus/data/cc/svg/XPE.svg) | XPE | 表記: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | 組成式: | C20 H42 O11 | SMILES: | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO | InChi: | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 | 別名: | DECAETHYLENE GLYCOL | 定義日: | 2004-06-23 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol |
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![XPG XPG](https://data.pdbj.org/pdbjplus/data/cc/svg/XPG.svg) | XPG | 表記: | 7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid | 組成式: | C20 H34 O5 | SMILES: | O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC | InChi: | InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1 | 別名: | Prostaglandin E1 | 定義日: | 2013-09-17 | 最終更新日: | 2021-03-01 | 公開日: | 2014-09-10 | 識別子(ID): | (11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid |
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![WAD WAD](https://data.pdbj.org/pdbjplus/data/cc/svg/WAD.svg) | WAD | 表記: | (10R)-10-hydroxyoctadecanoic acid | 組成式: | C18 H36 O3 | SMILES: | C(CCCCC(CCCCCCCCC(O)=O)O)CCC | InChi: | InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1 | 別名: | (R)-10-Hydroxystearic acid | 定義日: | 2020-10-05 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-06 | 識別子(ID): | (10R)-10-hydroxyoctadecanoic acid |
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![X8W X8W](https://data.pdbj.org/pdbjplus/data/cc/svg/X8W.svg) | X8W | 表記: | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one | 組成式: | C15 H12 O5 | SMILES: | O=C(c1c(O)cc(O)cc1O)C=Cc2ccc(O)cc2 | InChi: | InChI=1S/C15H12O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19-20H | 別名: | NARINGENIN CHALCONE | 定義日: | 2014-04-24 | 最終更新日: | 2021-03-01 | 公開日: | 2015-04-08 | 識別子(ID): | (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one |
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![ZAH ZAH](https://data.pdbj.org/pdbjplus/data/cc/svg/ZAH.svg) | ZAH | 表記: | N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE | 組成式: | C16 H20 N2 O5 | SMILES: | O=C(O)C2N(C(=O)C(NC(=O)OCc1ccccc1)C)CCC2 | InChi: | InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1 | 別名: | Z-ALA PROLINAL | 定義日: | 2005-02-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(benzyloxy)carbonyl]-L-alanyl-L-proline |
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![WSK WSK](https://data.pdbj.org/pdbjplus/data/cc/svg/WSK.svg) | WSK | 表記: | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL | 組成式: | C17 H18 Br2 N2 O | SMILES: | Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C | InChi: | InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1 | 別名: | (S)-WISKOSTATIN | 定義日: | 2004-06-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | (2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol |
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![ZAP ZAP](https://data.pdbj.org/pdbjplus/data/cc/svg/ZAP.svg) | ZAP | 表記: | [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | 組成式: | C16 H18 N3 O5 P | SMILES: | O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2 | InChi: | InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1 | 別名: | Z-AMIDINOPHENYLMETHANE-PHOSPHONATE | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid |
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![HEJ HEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HEJ.svg) | HEJ | 表記: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine | 組成式: | C10 H16 N5 O13 P3 | SMILES: | Nc1ncnc2c1ncn2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)C3O | InChi: | InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7+,10-/m1/s1 | 別名: | Vidarabine-TRIPHOSPHATE | 定義日: | 2018-06-27 | 最終更新日: | 2021-03-01 | 公開日: | 2018-10-24 | 識別子(ID): | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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![WAY WAY](https://data.pdbj.org/pdbjplus/data/cc/svg/WAY.svg) | WAY | 表記: | N-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-BENZAMIDE | 組成式: | C21 H21 N3 O5 S | SMILES: | O=C(NO)c3cccc(c3N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C | InChi: | InChI=1S/C21H21N3O5S/c1-15-5-3-7-19(21(25)23-26)20(15)24(14-16-6-4-12-22-13-16)30(27,28)18-10-8-17(29-2)9-11-18/h3-13,26H,14H2,1-2H3,(H,23,25) | 別名: | WAY-151693 | 定義日: | 2000-08-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](pyridin-3-ylmethyl)amino}-3-methylbenzamide |
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![ZU3 ZU3](https://data.pdbj.org/pdbjplus/data/cc/svg/ZU3.svg) | ZU3 | 表記: | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide | 組成式: | C32 H49 N5 O7 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C | InChi: | InChI=1S/C32H49N5O7/c1-20(2)16-25(28(40)35-24(13-12-21(3)38)17-23-14-15-33-27(23)39)36-29(41)26(18-34-30(42)32(4,5)6)37-31(43)44-19-22-10-8-7-9-11-22/h7-11,20,23-26H,12-19H2,1-6H3,(H,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)/t23-,24+,25-,26-/m0/s1 | 別名: | TG-0204998 | 定義日: | 2008-10-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-{(2R)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]hexan-2-yl}-L-leucinamide |
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![ZU5 ZU5](https://data.pdbj.org/pdbjplus/data/cc/svg/ZU5.svg) | ZU5 | 表記: | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide | 組成式: | C34 H52 N4 O7 | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3CC3)CC(C)C)C(OC(C)(C)C)C | InChi: | InChI=1S/C34H52N4O7/c1-21(2)18-27(31(41)36-26(14-15-28(39)24-12-13-24)19-25-16-17-35-30(25)40)37-32(42)29(22(3)45-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-11,21-22,24-27,29H,12-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t22-,25+,26-,27+,29+/m1/s1 | 別名: | TG-0205486 | 定義日: | 2008-12-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2R)-5-cyclopropyl-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide |
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![VF1 VF1](https://data.pdbj.org/pdbjplus/data/cc/svg/VF1.svg) | VF1 | 表記: | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol | 組成式: | C28 H32 N2 O2 | SMILES: | C2CN(C)C3Cc1ccc(O)cc1C24C36C=CC5(C4NC(C5(C6)C)c7ccccc7)OC | InChi: | InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23-,24+,25+,26-,27+,28+/m1/s1 | 別名: | BU72 | 定義日: | 2020-08-05 | 最終更新日: | 2021-03-01 | 公開日: | 2021-02-10 | 識別子(ID): | (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol |
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![HF4 HF4](https://data.pdbj.org/pdbjplus/data/cc/svg/HF4.svg) | HF4 | 表記: | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one | 組成式: | C9 H16 N3 O14 P3 | SMILES: | C=1N(C(=O)N=C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)(O)=O)O2)O)O | InChi: | InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 | 別名: | Cytarabine-TRIPHOSPHATE | 定義日: | 2018-06-27 | 最終更新日: | 2021-03-01 | 公開日: | 2018-10-10 | 識別子(ID): | 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one |
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![HF7 HF7](https://data.pdbj.org/pdbjplus/data/cc/svg/HF7.svg) | HF7 | 表記: | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) | 組成式: | C11 H18 N5 O12 P3 | SMILES: | c3(nc(c2c(n(C1CC(C(COP(=O)(O)OP(OP(O)(O)=O)(=O)O)O1)O)cn2)n3)N)C | InChi: | InChI=1S/C11H18N5O12P3/c1-5-14-10(12)9-11(15-5)16(4-13-9)8-2-6(17)7(26-8)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h4,6-8,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t6-,7+,8+/m0/s1 | 別名: | Cladribine-TRIPHOSPHATE | 定義日: | 2018-06-27 | 最終更新日: | 2021-03-01 | 公開日: | 2018-10-10 | 識別子(ID): | 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate) |
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![S4E S4E](https://data.pdbj.org/pdbjplus/data/cc/svg/S4E.svg) | S4E | 表記: | N-(2-(2-cyclopropylethoxy)pyrimidin-5-yl)-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | 組成式: | C24 H30 N6 O3 | SMILES: | COc1cc2ncnc(Nc3cnc(OCCC4CC4)nc3)c2cc1OCC5CCNCC5 | InChi: | InChI=1S/C24H30N6O3/c1-31-21-11-20-19(10-22(21)33-14-17-4-7-25-8-5-17)23(29-15-28-20)30-18-12-26-24(27-13-18)32-9-6-16-2-3-16/h10-13,15-17,25H,2-9,14H2,1H3,(H,28,29,30) | 別名: | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine | 定義日: | 2020-11-06 | 最終更新日: | 2021-03-01 | 公開日: | 2021-03-03 | 識別子(ID): | ~{N}-[2-(2-cyclopropylethoxy)pyrimidin-5-yl]-7-methoxy-6-(piperidin-4-ylmethoxy)quinazolin-4-amine |
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![HFG HFG](https://data.pdbj.org/pdbjplus/data/cc/svg/HFG.svg) | HFG | 表記: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one | 組成式: | C16 H17 Br Cl N3 O3 | SMILES: | Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCCCC2O)c3 | InChi: | InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1 | 別名: | Halofuginone | 定義日: | 2012-11-09 | 最終更新日: | 2021-03-01 | 公開日: | 2012-12-28 | 識別子(ID): | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one |
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![XRA XRA](https://data.pdbj.org/pdbjplus/data/cc/svg/XRA.svg) | XRA | 表記: | 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine | 組成式: | C19 H21 N5 O4 | SMILES: | O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4 | InChi: | InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22) | 別名: | Prazosin | 定義日: | 2010-09-24 | 最終更新日: | 2021-03-01 | 識別子(ID): | [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone |
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![Z Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Z.svg) | Z | 表記: | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE | 組成式: | C9 H13 N2 O7 P | SMILES: | O=C1N=CC=CN1C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C9H13N2O7P/c12-6-4-8(11-3-1-2-10-9(11)13)18-7(6)5-17-19(14,15)16/h1-3,6-8,12H,4-5H2,(H2,14,15,16)/t6-,7+,8+/m0/s1 | 別名: | 2'-DEOXYZEBULARINE-5'-MONOPHOSPHATE | 定義日: | 2002-09-09 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
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![ZD6 ZD6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZD6.svg) | ZD6 | 表記: | Vandetanib | 組成式: | C22 H24 Br F N4 O2 | SMILES: | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4 | InChi: | InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | 別名: | ZD6474 | 定義日: | 2006-06-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | ~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
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![XAM XAM](https://data.pdbj.org/pdbjplus/data/cc/svg/XAM.svg) | XAM | 表記: | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside | 組成式: | C44 H60 Cl2 N4 O14 | SMILES: | O=C(OC1C(OC)C(OC(C)C1OC(=O)N)N2C(=O)C(=C(O)C2C(C)C)C(=O)C6C(C=CC5C(OC3OC(C(O)C(O)(C3)C(NC(=O)c4c(Cl)c(Cl)c(n4)C)C)C)CC/C(=C)C56)C)C | InChi: | InChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,53-54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1 | 別名: | Amycolamicin | 定義日: | 2012-04-11 | 最終更新日: | 2021-03-01 | 公開日: | 2014-07-16 | 識別子(ID): | (1R,4aS,5S,6S,8aR)-5-{[(5S)-1-(3-O-acetyl-4-O-carbamoyl-6-deoxy-2-O-methyl-alpha-L-talopyranosyl)-4-hydroxy-2-oxo-5-(propan-2-yl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-6-methyl-4-methylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 2,6-dideoxy-3-C-[(1S)-1-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}ethyl]-beta-D-ribo-hexopyranoside |
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![WUL WUL](https://data.pdbj.org/pdbjplus/data/cc/svg/WUL.svg) | WUL | 表記: | 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE | 組成式: | C15 H14 Br N3 O3 | SMILES: | Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4 | InChi: | InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1 | 別名: | (S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL) | 定義日: | 2012-03-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | 8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one |
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