![QSM QSM](https://data.pdbj.org/pdbjplus/data/cc/svg/QSM.svg) | QSM | 表記: | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole | 組成式: | C24 H30 N2 O2 | SMILES: | N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC)c2C(C)C)cc3)CC4 | InChi: | InChI=1S/C24H30N2O2/c1-15(2)23-19-13-17(16-9-11-25-12-10-16)5-7-20(19)26-24(23)18-6-8-21(27-3)22(14-18)28-4/h5-8,13-16,25-26H,9-12H2,1-4H3 | 定義日: | 2019-12-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole |
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![RZP RZP](https://data.pdbj.org/pdbjplus/data/cc/svg/RZP.svg) | RZP | 表記: | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H21 N O12 P2 | SMILES: | CC(=O)N[CH](CCC(O)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C12H21NO12P2/c1-7(14)13-9(3-5-11(17)18)26(21,25-27(22,23)24)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26-/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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![RZV RZV](https://data.pdbj.org/pdbjplus/data/cc/svg/RZV.svg) | RZV | 表記: | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H20 N O9 P | SMILES: | CC(=O)N[CH](CCC(O)=O)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C12H20NO9P/c1-7(14)13-9(3-5-11(17)18)23(21,22)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9-/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid |
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![RZY RZY](https://data.pdbj.org/pdbjplus/data/cc/svg/RZY.svg) | RZY | 表記: | (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | 組成式: | C10 H19 N O10 P2 | SMILES: | C[CH](NC(C)=O)[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C10H19NO10P2/c1-6(12)11-7(2)22(17,21-23(18,19)20)5-8(10(15)16)3-4-9(13)14/h7-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)(H2,18,19,20)/t7-,8+,22+/m0/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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![Y41 Y41](https://data.pdbj.org/pdbjplus/data/cc/svg/Y41.svg) | Y41 | 表記: | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide | 組成式: | C20 H20 N2 O | SMILES: | O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3 | InChi: | InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1 | 定義日: | 2020-08-04 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide |
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![S37 S37](https://data.pdbj.org/pdbjplus/data/cc/svg/S37.svg) | S37 | 表記: | (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H20 N O9 P | SMILES: | CC(=O)N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H20NO9P/c1-7(14)13-9(12(19)20)4-5-23(21,22)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9+/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid |
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![S3A S3A](https://data.pdbj.org/pdbjplus/data/cc/svg/S3A.svg) | S3A | 表記: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | 組成式: | C12 H21 N O12 P2 | SMILES: | CC(=O)N[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)C(O)=O | InChi: | InChI=1S/C12H21NO12P2/c1-7(14)13-9(12(19)20)4-5-26(21,25-27(22,23)24)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26+/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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![O0W O0W](https://data.pdbj.org/pdbjplus/data/cc/svg/O0W.svg) | O0W | 表記: | 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one | 組成式: | C21 H22 N4 O2 | SMILES: | CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNCC4)c5occc5C1=O | InChi: | InChI=1S/C21H22N4O2/c1-13-9-14(18-12-24(2)21(26)17-5-8-27-20(17)18)10-15-11-25(23-19(13)15)16-3-6-22-7-4-16/h5,8-12,16,22H,3-4,6-7H2,1-2H3 | 定義日: | 2020-01-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one |
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![UMJ UMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/UMJ.svg) | UMJ | 表記: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid | 組成式: | C15 H18 N2 O2 | SMILES: | c2cccc(Cn1c(C(O)=O)cc(n1)C(C)(C)C)c2 | InChi: | InChI=1S/C15H18N2O2/c1-15(2,3)13-9-12(14(18)19)17(16-13)10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,18,19) | 定義日: | 2020-05-22 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid |
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![QZ4 QZ4](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ4.svg) | QZ4 | 表記: | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | 組成式: | C23 H37 F2 N3 O5 | SMILES: | C(CC1CCCCC1)(C(NC(CC2C(=O)NCC2)CO)=O)NC(=O)OC3CCC(CC3)(F)F | InChi: | InChI=1S/C23H37F2N3O5/c24-23(25)9-6-18(7-10-23)33-22(32)28-19(12-15-4-2-1-3-5-15)21(31)27-17(14-29)13-16-8-11-26-20(16)30/h15-19,29H,1-14H2,(H,26,30)(H,27,31)(H,28,32)/t16-,17-,19-/m0/s1 | 定義日: | 2020-01-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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![QZ7 QZ7](https://data.pdbj.org/pdbjplus/data/cc/svg/QZ7.svg) | QZ7 | 表記: | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C20 H33 F2 N3 O5 | SMILES: | C1(F)(CCC(CC1)OC(=O)NC(CC(C)C)C(NC(CC2C(=O)NCC2)CO)=O)F | InChi: | InChI=1S/C20H33F2N3O5/c1-12(2)9-16(25-19(29)30-15-3-6-20(21,22)7-4-15)18(28)24-14(11-26)10-13-5-8-23-17(13)27/h12-16,26H,3-11H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t13-,14-,16-/m0/s1 | 定義日: | 2020-01-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![QZD QZD](https://data.pdbj.org/pdbjplus/data/cc/svg/QZD.svg) | QZD | 表記: | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C20 H35 N3 O7 | SMILES: | C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2 | InChi: | InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![QZG QZG](https://data.pdbj.org/pdbjplus/data/cc/svg/QZG.svg) | QZG | 表記: | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide | 組成式: | C23 H41 N3 O5 | SMILES: | C(=O)(NC(CC(C)C)C(NC(CC1C(=O)NCC1)CO)=O)OC2CCC(CC2)C(C)C | InChi: | InChI=1S/C23H41N3O5/c1-14(2)11-20(22(29)25-18(13-27)12-17-9-10-24-21(17)28)26-23(30)31-19-7-5-16(6-8-19)15(3)4/h14-20,27H,5-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19-,20-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide |
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![QZJ QZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QZJ.svg) | QZJ | 表記: | N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | 組成式: | C22 H39 N3 O5 | SMILES: | C(CC1C(=O)NCC1)(NC(C(CC(C)C)NC(=O)OC2CCC(CC2)CC)=O)CO | InChi: | InChI=1S/C22H39N3O5/c1-4-15-5-7-18(8-6-15)30-22(29)25-19(11-14(2)3)21(28)24-17(13-26)12-16-9-10-23-20(16)27/h14-19,26H,4-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide |
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![V1P V1P](https://data.pdbj.org/pdbjplus/data/cc/svg/V1P.svg) | V1P | 表記: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide | 組成式: | C24 H35 N5 O4 | SMILES: | O=C(C1CN(C)C1)NC(CCCCCC(CC)(O)O)c3nc(c2ccccc2)nc3C(N)=O | InChi: | InChI=1S/C24H35N5O4/c1-3-24(32,33)13-9-5-8-12-18(26-23(31)17-14-29(2)15-17)19-20(21(25)30)28-22(27-19)16-10-6-4-7-11-16/h4,6-7,10-11,17-18,32-33H,3,5,8-9,12-15H2,1-2H3,(H2,25,30)(H,26,31)(H,27,28)/t18-/m0/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide |
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![V1S V1S](https://data.pdbj.org/pdbjplus/data/cc/svg/V1S.svg) | V1S | 表記: | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | 組成式: | C28 H38 F N5 O3 | SMILES: | N#Cc1c(nc(n1)c2ccc(cc2)F)C(NC(C4C3(CCN(C)CC3)C4)=O)CCCCCC(CC)(O)O | InChi: | InChI=1S/C28H38FN5O3/c1-3-28(36,37)12-6-4-5-7-22(32-26(35)21-17-27(21)13-15-34(2)16-14-27)24-23(18-30)31-25(33-24)19-8-10-20(29)11-9-19/h8-11,21-22,36-37H,3-7,12-17H2,1-2H3,(H,31,33)(H,32,35)/t21-,22+/m1/s1 | 定義日: | 2020-06-15 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (1S)-N-{(1S)-1-[5-cyano-2-(4-fluorophenyl)-1H-imidazol-4-yl]-7,7-dihydroxynonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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![V27 V27](https://data.pdbj.org/pdbjplus/data/cc/svg/V27.svg) | V27 | 表記: | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one | 組成式: | C28 H30 F6 N2 O3 | SMILES: | OC(C(F)(F)F)(c1ccc(cc1)C2C(CN(C2)C(C3CCN(C(=O)C)CC3)=O)(c4ccccc4)C)C(F)(F)F | InChi: | InChI=1S/C28H30F6N2O3/c1-18(37)35-14-12-20(13-15-35)24(38)36-16-23(25(2,17-36)21-6-4-3-5-7-21)19-8-10-22(11-9-19)26(39,27(29,30)31)28(32,33)34/h3-11,20,23,39H,12-17H2,1-2H3/t23-,25+/m0/s1 | 定義日: | 2020-06-17 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 1-(4-{(3S,4S)-4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methyl-3-phenylpyrrolidine-1-carbonyl}piperidin-1-yl)ethan-1-one |
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![WXM WXM](https://data.pdbj.org/pdbjplus/data/cc/svg/WXM.svg) | WXM | 表記: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid | 組成式: | C12 H17 B N O6 S | SMILES: | OC(=O)C[CH]1CC[CH](NC(=O)Cc2sccc2)[B-](O)(O)O1 | InChi: | InChI=1S/C12H17BNO6S/c15-11(7-9-2-1-5-21-9)14-10-4-3-8(6-12(16)17)20-13(10,18)19/h1-2,5,8,10,18-19H,3-4,6-7H2,(H,14,15)(H,16,17)/q-1/t8-,10-/m0/s1 | 定義日: | 2019-12-11 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid |
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![V3S V3S](https://data.pdbj.org/pdbjplus/data/cc/svg/V3S.svg) | V3S | 表記: | (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide | 組成式: | C16 H21 N5 O2 | SMILES: | c3n(c(c2cccc(NC(=O)C1CCCCO1)n2)nn3)C(C)C | InChi: | InChI=1S/C16H21N5O2/c1-11(2)21-10-17-20-15(21)12-6-5-8-14(18-12)19-16(22)13-7-3-4-9-23-13/h5-6,8,10-11,13H,3-4,7,9H2,1-2H3,(H,18,19,22)/t13-/m1/s1 | 定義日: | 2020-06-22 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2R)-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}oxane-2-carboxamide |
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![OQ2 OQ2](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ2.svg) | OQ2 | 表記: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | 組成式: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m1/s1 | 定義日: | 2020-03-27 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{R})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
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![OQ8 OQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ8.svg) | OQ8 | 表記: | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide | 組成式: | C33 H40 F3 N7 O3 | SMILES: | CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[CH]5CCN(C5)C(=O)CC)n4)c3)cc2C(F)(F)F | InChi: | InChI=1S/C33H40F3N7O3/c1-4-30(44)43-13-11-26(21-43)39-32-37-12-10-29(40-32)46-28-18-23(7-6-22(28)3)31(45)38-25-9-8-24(27(19-25)33(34,35)36)20-42-16-14-41(5-2)15-17-42/h6-10,12,18-19,26H,4-5,11,13-17,20-21H2,1-3H3,(H,38,45)(H,37,39,40)/t26-/m0/s1 | 定義日: | 2020-03-27 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | ~{N}-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[[(3~{S})-1-propanoylpyrrolidin-3-yl]amino]pyrimidin-4-yl]oxy-benzamide |
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![VBG VBG](https://data.pdbj.org/pdbjplus/data/cc/svg/VBG.svg) | VBG | 表記: | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile | 組成式: | C34 H30 F8 N4 O5 S | SMILES: | O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C | InChi: | InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1 | 定義日: | 2020-07-22 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile |
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![VDJ VDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VDJ.svg) | VDJ | 表記: | [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | 組成式: | C21 H35 F2 N3 O8 S | SMILES: | C(C(NC(CC1C(=O)NCC1)C(S(O)(=O)=O)O)=O)(CC(C)C)NC(=O)OCC2CCC(CC2)(F)F | InChi: | InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t14-,15-,16-,19+/m0/s1 | 定義日: | 2020-07-30 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (1R,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![OGH OGH](https://data.pdbj.org/pdbjplus/data/cc/svg/OGH.svg) | OGH | 表記: | 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine | 組成式: | C21 H21 F N8 O | SMILES: | CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N5C[CH]6C(N)[CH]6C5)c23 | InChi: | InChI=1S/C21H21FN8O/c1-9-25-5-11(6-26-9)31-21-28-19-16(12-3-10(22)4-15(24-2)18(12)27-19)20(29-21)30-7-13-14(8-30)17(13)23/h3-6,13-14,17,24H,7-8,23H2,1-2H3,(H,27,28,29)/t13-,14+,17+ | 定義日: | 2020-03-05 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | 4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine |
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![2TI 2TI](https://data.pdbj.org/pdbjplus/data/cc/svg/2TI.svg) | 2TI | 表記: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid | 組成式: | C14 H26 N2 O11 P2 | SMILES: | CCNC(=O)[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O | InChi: | InChI=1S/C14H26N2O11P2/c1-3-15-13(20)11(16-9(2)17)6-7-28(23,27-29(24,25)26)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,24,25,26)/t10-,11-,28+/m1/s1 | 定義日: | 2020-03-03 | 最終更新日: | 2020-08-07 | 公開日: | 2020-08-12 | 識別子(ID): | (2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid |
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