![8DR 8DR](https://data.pdbj.org/pdbjplus/data/cc/svg/8DR.svg) | 8DR | 表記: | (S)-2-(3-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)thiophene-2-carboxamido)-5-guanidinopentanoic acid | 組成式: | C17 H19 N7 O5 S3 | SMILES: | O=C(O)C(NC(=O)c1sccc1NS(=O)(=O)c2cccc3nsnc23)CCCNC(=[N@H])N | InChi: | InChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1 | 別名: | (2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophen-2-yl]carbonylamino]-5-carbamimidamido-pentanoic acid | 定義日: | 2009-07-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | N~2~-({3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]thiophen-2-yl}carbonyl)-L-arginine |
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![8DV 8DV](https://data.pdbj.org/pdbjplus/data/cc/svg/8DV.svg) | 8DV | 表記: | (R)-4-(6-(1-(cyclopropylsulfonyl)cyclopropyl)-2-(1H-indol-4-yl)pyrimidin-4-yl)-3-methylmorpholine | 組成式: | C23 H26 N4 O3 S | SMILES: | C1(C)COCCN1c6cc(C3(S(=O)(=O)C2CC2)CC3)nc(c4c5c(ccc4)ncc5)n6 | InChi: | InChI=1S/C23H26N4O3S/c1-15-14-30-12-11-27(15)21-13-20(23(8-9-23)31(28,29)16-5-6-16)25-22(26-21)18-3-2-4-19-17(18)7-10-24-19/h2-4,7,10,13,15-16,24H,5-6,8-9,11-12,14H2,1H3/t15-/m1/s1 | 別名: | 4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole | 定義日: | 2017-01-26 | 最終更新日: | 2020-06-17 | 公開日: | 2017-06-14 | 識別子(ID): | 4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl}-1H-indole |
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![8E8 8E8](https://data.pdbj.org/pdbjplus/data/cc/svg/8E8.svg) | 8E8 | 表記: | 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one | 組成式: | C25 H26 N6 O2 | SMILES: | CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25 | InChi: | InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1 | 別名: | Ibrutinib (bound form) | 定義日: | 2016-10-20 | 最終更新日: | 2020-06-17 | 公開日: | 2017-05-24 | 識別子(ID): | 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one |
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![2CU 2CU](https://data.pdbj.org/pdbjplus/data/cc/svg/2CU.svg) | 2CU | 表記: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | 組成式: | C19 H24 Cl N5 O3 S | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | 別名: | LY2119620 positive allosteric modulator of M2/M4 receptor | 定義日: | 2013-09-20 | 最終更新日: | 2020-06-17 | 公開日: | 2013-11-27 | 識別子(ID): | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
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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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![2DI 2DI](https://data.pdbj.org/pdbjplus/data/cc/svg/2DI.svg) | 2DI | 表記: | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE | 組成式: | C10 H12 N4 O3 | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(CC3)CO | InChi: | InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 | 別名: | 2',3'-DIDEOXYINOSINE | 定義日: | 2003-11-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one |
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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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![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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![2EL 2EL](https://data.pdbj.org/pdbjplus/data/cc/svg/2EL.svg) | 2EL | 表記: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-
ol | 組成式: | C16 H25 N5 O3 S | SMILES: | OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | InChi: | InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1 | 別名: | DIETGLYCOL-THIO-DADME-IMMUCILLIN-A | 定義日: | 2012-05-09 | 最終更新日: | 2020-06-17 | 公開日: | 2013-05-01 | 識別子(ID): | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol |
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![8PL 8PL](https://data.pdbj.org/pdbjplus/data/cc/svg/8PL.svg) | 8PL | 表記: | (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid | 組成式: | C12 H14 F N O3 S | SMILES: | C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(F)cc1 | InChi: | InChI=1S/C12H14FNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,14,15)(H,16,17)/t7-,10-/m1/s1 | 別名: | (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid | 定義日: | 2017-08-24 | 最終更新日: | 2020-06-17 | 公開日: | 2018-01-24 | 識別子(ID): | (2~{R})-2-(4-fluorophenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid |
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![2FA 2FA](https://data.pdbj.org/pdbjplus/data/cc/svg/2FA.svg) | 2FA | 表記: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | 組成式: | C10 H12 F N5 O4 | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N | InChi: | InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | 別名: | 2-FLUOROADENOSINE | 定義日: | 2003-08-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2-fluoroadenosine |
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![2FD 2FD](https://data.pdbj.org/pdbjplus/data/cc/svg/2FD.svg) | 2FD | 表記: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL | 組成式: | C10 H12 F N5 O3 | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N | InChi: | InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 | 別名: | 2-FLUORO-2'-DEOXYADENOSINE | 定義日: | 2003-08-06 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2'-deoxy-2-fluoroadenosine |
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![2FE 2FE](https://data.pdbj.org/pdbjplus/data/cc/svg/2FE.svg) | 2FE | 表記: | 2'-fluoro-2'-deoxy-1,N6-ethenoadenine | 組成式: | C12 H13 F N5 O6 P | SMILES: | O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O | InChi: | InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1 | 別名: | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine | 定義日: | 2008-04-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine |
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![8PR 8PR](https://data.pdbj.org/pdbjplus/data/cc/svg/8PR.svg) | 8PR | 表記: | Paroxetine | 組成式: | C19 H20 F N O3 | SMILES: | Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3 | InChi: | InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | 別名: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | 定義日: | 2011-07-11 | 最終更新日: | 2020-06-17 | 公開日: | 2012-09-21 | 識別子(ID): | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine |
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![2FI 2FI](https://data.pdbj.org/pdbjplus/data/cc/svg/2FI.svg) | 2FI | 表記: | 2'-fluoro-2'-deoxyinosine | 組成式: | C10 H12 F N4 O7 P | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O | InChi: | InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1 | 別名: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one | 定義日: | 2008-04-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
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![8Q1 8Q1](https://data.pdbj.org/pdbjplus/data/cc/svg/8Q1.svg) | 8Q1 | 表記: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate | 組成式: | C23 H45 N2 O8 P S | SMILES: | O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O | InChi: | InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1 | 別名: | S-dodecanoyl-4'-phosphopantetheine | 定義日: | 2017-02-28 | 最終更新日: | 2020-06-17 | 公開日: | 2017-06-21 | 識別子(ID): | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate |
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![2G6 2G6](https://data.pdbj.org/pdbjplus/data/cc/svg/2G6.svg) | 2G6 | 表記: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-((3,3-dimethylbutyl)amino)-4-methyl-1-oxopentan-2-yl)phosphonamidic
acid | 組成式: | C21 H36 N3 O5 P | SMILES: | O=C(NCCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | InChi: | InChI=1S/C21H36N3O5P/c1-16(2)13-18(19(25)22-12-11-21(3,4)5)24-30(27,28)15-23-20(26)29-14-17-9-7-6-8-10-17/h6-10,16,18H,11-15H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t18-/m0/s1 | 別名: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide | 定義日: | 2013-10-11 | 最終更新日: | 2020-06-17 | 公開日: | 2014-04-02 | 識別子(ID): | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3,3-dimethylbutyl)-L-leucinamide |
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![2G8 2G8](https://data.pdbj.org/pdbjplus/data/cc/svg/2G8.svg) | 2G8 | 表記: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(propylamino)pentan-2-yl)phosphonamidic acid | 組成式: | C18 H30 N3 O5 P | SMILES: | O=C(NCCC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | InChi: | InChI=1S/C18H30N3O5P/c1-4-10-19-17(22)16(11-14(2)3)21-27(24,25)13-20-18(23)26-12-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3,(H,19,22)(H,20,23)(H2,21,24,25)/t16-/m0/s1 | 別名: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide | 定義日: | 2013-10-11 | 最終更新日: | 2020-06-17 | 公開日: | 2014-04-02 | 識別子(ID): | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-propyl-L-leucinamide |
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![2G9 2G9](https://data.pdbj.org/pdbjplus/data/cc/svg/2G9.svg) | 2G9 | 表記: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(((S)-2-methylbutyl)amino)-1-oxopentan- 2-yl)phosphonamidic
acid | 組成式: | C20 H34 N3 O5 P | SMILES: | O=C(NCC(C)CC)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | InChi: | InChI=1S/C20H34N3O5P/c1-5-16(4)12-21-19(24)18(11-15(2)3)23-29(26,27)14-22-20(25)28-13-17-9-7-6-8-10-17/h6-10,15-16,18H,5,11-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t16-,18-/m0/s1 | 別名: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide | 定義日: | 2013-10-11 | 最終更新日: | 2020-06-17 | 公開日: | 2014-04-02 | 識別子(ID): | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-[(2S)-2-methylbutyl]-L-leucinamide |
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![8QP 8QP](https://data.pdbj.org/pdbjplus/data/cc/svg/8QP.svg) | 8QP | 表記: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | 組成式: | C17 H21 N O3 | SMILES: | c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3 | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1 | 別名: | (S)-Etodolac | 定義日: | 2017-03-02 | 最終更新日: | 2020-06-17 | 公開日: | 2017-03-15 | 識別子(ID): | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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![K1R K1R](https://data.pdbj.org/pdbjplus/data/cc/svg/K1R.svg) | K1R | 表記: | (2S)-2-AMINO-4-[({[(2R)-2-AMINO-2-CARBOXYETHYL]THIO}AMINO)SULFINYL]BUTANOIC ACID | 組成式: | C7 H15 N3 O5 S2 | SMILES: | O=S(NSCC(N)C(=O)O)CCC(C(=O)O)N | InChi: | InChI=1S/C7H15N3O5S2/c8-4(6(11)12)1-2-17(15)10-16-3-5(9)7(13)14/h4-5,10H,1-3,8-9H2,(H,11,12)(H,13,14)/t4-,5-,17+/m0/s1 | 別名: | N-THIOSULFOXIMIDE | 定義日: | 2006-03-17 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S)-2-amino-4-[(R)-({[(2R)-2-amino-2-carboxyethyl]sulfanyl}amino)sulfinyl]butanoic acid |
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![2GZ 2GZ](https://data.pdbj.org/pdbjplus/data/cc/svg/2GZ.svg) | 2GZ | 表記: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-(neopentylamino)-1-oxopentan-2-yl)phosphonamidic acid | 組成式: | C20 H34 N3 O5 P | SMILES: | O=C(NCC(C)(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | InChi: | InChI=1S/C20H34N3O5P/c1-15(2)11-17(18(24)21-13-20(3,4)5)23-29(26,27)14-22-19(25)28-12-16-9-7-6-8-10-16/h6-10,15,17H,11-14H2,1-5H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1 | 別名: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide | 定義日: | 2013-10-17 | 最終更新日: | 2020-06-17 | 公開日: | 2014-04-02 | 識別子(ID): | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2,2-dimethylpropyl)-L-leucinamide |
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![K21 K21](https://data.pdbj.org/pdbjplus/data/cc/svg/K21.svg) | K21 | 表記: | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-BENZOTHIAZEPINE | 組成式: | C25 H32 N2 O2 S | SMILES: | O=C(N1Cc2c(SCC1)ccc(OC)c2)CCN4CCC(Cc3ccccc3)CC4 | InChi: | InChI=1S/C25H32N2O2S/c1-29-23-7-8-24-22(18-23)19-27(15-16-30-24)25(28)11-14-26-12-9-21(10-13-26)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3 | 別名: | K201 | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine |
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![2HB 2HB](https://data.pdbj.org/pdbjplus/data/cc/svg/2HB.svg) | 2HB | 表記: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide | 組成式: | C21 H23 N5 O3 S | SMILES: | O=S5(=O)CCN(Cc4ccc(c2cccc1nc(nn12)NC(=O)C3CC3)cc4)CC5 | InChi: | InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | 別名: | G146034 | 定義日: | 2014-03-28 | 最終更新日: | 2020-06-17 | 公開日: | 2014-11-19 | 識別子(ID): | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide |
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