![FHR FHR](https://data.pdbj.org/pdbjplus/data/cc/svg/FHR.svg) | FHR | 表記: | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 組成式: | C25 H32 N4 O4 | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3 | InChi: | InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1 | 定義日: | 2020-05-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide |
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![FJC FJC](https://data.pdbj.org/pdbjplus/data/cc/svg/FJC.svg) | FJC | 表記: | ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | 組成式: | C25 H25 F N4 O4 | SMILES: | Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1 | InChi: | InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19-,21-/m0/s1 | 定義日: | 2020-05-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide |
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![E2L E2L](https://data.pdbj.org/pdbjplus/data/cc/svg/E2L.svg) | E2L | 表記: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine | 組成式: | C20 H23 Cl N2 O | SMILES: | Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1 | InChi: | InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine |
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![E2O E2O](https://data.pdbj.org/pdbjplus/data/cc/svg/E2O.svg) | E2O | 表記: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine | 組成式: | C19 H22 Cl N3 O | SMILES: | Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1 | InChi: | InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine |
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![E2R E2R](https://data.pdbj.org/pdbjplus/data/cc/svg/E2R.svg) | E2R | 表記: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine | 組成式: | C19 H21 Cl N2 O | SMILES: | N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24 | InChi: | InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15- | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine |
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![D2L D2L](https://data.pdbj.org/pdbjplus/data/cc/svg/D2L.svg) | D2L | 表記: | [(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate | 組成式: | C26 H51 N O4 S | SMILES: | CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O | InChi: | InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1 | 定義日: | 2019-06-05 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | [(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate |
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![EJF EJF](https://data.pdbj.org/pdbjplus/data/cc/svg/EJF.svg) | EJF | 表記: | N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide | 組成式: | C27 H37 N5 O5 | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=O | InChi: | InChI=1S/C27H37N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13-16,18-19,21,23,30H,9-12H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1 | 定義日: | 2020-01-07 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1~{H}-indole-2-carboxamide |
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![ELF ELF](https://data.pdbj.org/pdbjplus/data/cc/svg/ELF.svg) | ELF | 表記: | (2S)-2-azanyl-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propanal | 組成式: | C8 H14 N2 O2 | SMILES: | N[CH](C[CH]1CCCNC1=O)C=O | InChi: | InChI=1S/C8H14N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h5-7H,1-4,9H2,(H,10,12)/t6-,7-/m0/s1 | 定義日: | 2020-01-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanal |
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![EOC EOC](https://data.pdbj.org/pdbjplus/data/cc/svg/EOC.svg) | EOC | 表記: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | 組成式: | C23 H31 N3 O4 | SMILES: | CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C23H31N3O4/c1-16(2)13-20(26-21(28)11-10-17-7-4-3-5-8-17)23(30)25-19(15-27)14-18-9-6-12-24-22(18)29/h3-5,7-8,10-11,15-16,18-20H,6,9,12-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b11-10+/t18-,19-,20-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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![EOF EOF](https://data.pdbj.org/pdbjplus/data/cc/svg/EOF.svg) | EOF | 表記: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide | 組成式: | C22 H29 N3 O4 | SMILES: | CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O | InChi: | InChI=1S/C22H29N3O4/c1-15(2)12-19(25-20(27)9-8-16-6-4-3-5-7-16)22(29)24-18(14-26)13-17-10-11-23-21(17)28/h3-9,14-15,17-19H,10-13H2,1-2H3,(H,23,28)(H,24,29)(H,25,27)/b9-8+/t17-,18-,19-/m0/s1 | 定義日: | 2020-01-17 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide |
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![LLE LLE](https://data.pdbj.org/pdbjplus/data/cc/svg/LLE.svg) | LLE | 表記: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide | 組成式: | C23 H39 N2 O13 P S | SMILES: | CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O | InChi: | InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1 | 定義日: | 2019-08-22 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide |
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![DY3 DY3](https://data.pdbj.org/pdbjplus/data/cc/svg/DY3.svg) | DY3 | 表記: | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol | 組成式: | C15 H21 N3 O S | SMILES: | CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2 | InChi: | InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3 | 定義日: | 2019-09-18 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol |
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![QLA QLA](https://data.pdbj.org/pdbjplus/data/cc/svg/QLA.svg) | QLA | 表記: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione | 組成式: | C16 H10 F N O3 | SMILES: | C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O | InChi: | InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H | 定義日: | 2019-11-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione |
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![R0J R0J](https://data.pdbj.org/pdbjplus/data/cc/svg/R0J.svg) | R0J | 表記: | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one | 組成式: | C20 H18 Cl F3 N6 O | SMILES: | C(N3C(N(C1CC1)c2c3cncc2)=O)c5n(CCCC(F)(F)F)c4c(nc(Cl)cc4)n5 | InChi: | InChI=1S/C20H18ClF3N6O/c21-16-5-4-14-18(26-16)27-17(28(14)9-1-7-20(22,23)24)11-29-15-10-25-8-6-13(15)30(19(29)31)12-2-3-12/h4-6,8,10,12H,1-3,7,9,11H2 | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one |
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![R0P R0P](https://data.pdbj.org/pdbjplus/data/cc/svg/R0P.svg) | R0P | 表記: | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one | 組成式: | C21 H23 N5 O3 S | SMILES: | C(N3C(N(C1CC1)c2c3cncc2)=O)c5cc4cnccc4n5CCCS(C)(=O)=O | InChi: | InChI=1S/C21H23N5O3S/c1-30(28,29)10-2-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)27)16-3-4-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3 | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one |
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![R0S R0S](https://data.pdbj.org/pdbjplus/data/cc/svg/R0S.svg) | R0S | 表記: | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile | 組成式: | C27 H24 Cl N5 O3 | SMILES: | COc5c(ccc(N4C(N(Cc2cc1c(ccc(Cl)c1)n2CCCC#N)c3cnccc34)=O)c5)OC | InChi: | InChI=1S/C27H24ClN5O3/c1-35-25-8-6-20(15-26(25)36-2)33-23-9-11-30-16-24(23)32(27(33)34)17-21-14-18-13-19(28)5-7-22(18)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3 | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile |
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![Q5Z Q5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/Q5Z.svg) | Q5Z | 表記: | 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine | 組成式: | C26 H30 N2 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4 | InChi: | InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3 | 定義日: | 2020-05-19 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine |
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![NQP NQP](https://data.pdbj.org/pdbjplus/data/cc/svg/NQP.svg) | NQP | 表記: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | 組成式: | C31 H42 N6 O4 | SMILES: | [C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C | InChi: | InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1 | 定義日: | 2019-05-24 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
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![NQV NQV](https://data.pdbj.org/pdbjplus/data/cc/svg/NQV.svg) | NQV | 表記: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide | 組成式: | C30 H42 N6 O3 | SMILES: | c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O | InChi: | InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1 | 定義日: | 2019-05-24 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide |
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![NQY NQY](https://data.pdbj.org/pdbjplus/data/cc/svg/NQY.svg) | NQY | 表記: | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide | 組成式: | C26 H34 N6 O3 | SMILES: | c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C | InChi: | InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1 | 定義日: | 2019-05-24 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide |
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![017 017](https://data.pdbj.org/pdbjplus/data/cc/svg/017.svg) | 017 | 表記: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | 組成式: | C27 H37 N3 O7 S | SMILES: | O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | 別名: | Darunavir | 定義日: | 2004-01-27 | 最終更新日: | 2020-05-22 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
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![032 032](https://data.pdbj.org/pdbjplus/data/cc/svg/032.svg) | 032 | 表記: | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | 組成式: | C23 H18 Cl F2 N3 O3 S | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4ccc(Cl)cc4)CCC | InChi: | InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | 別名: | Vemurafenib | 定義日: | 2010-08-17 | 最終更新日: | 2020-05-22 | 識別子(ID): | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide |
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![NWG NWG](https://data.pdbj.org/pdbjplus/data/cc/svg/NWG.svg) | NWG | 表記: | 5-[(diaminomethylidene)amino]-2-oxopentanoic acid | 組成式: | C6 H11 N3 O3 | SMILES: | C(=O)(C(O)=O)CCCN=C(/N)N | InChi: | InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9) | 定義日: | 2019-05-29 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 5-[(diaminomethylidene)amino]-2-oxopentanoic acid |
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![NZY NZY](https://data.pdbj.org/pdbjplus/data/cc/svg/NZY.svg) | NZY | 表記: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) | 組成式: | C14 H25 N O10 | SMILES: | C(OCC1C(C(C(CO1)NC(=O)C)O)O)C2(C(C(O)C(CO)O2)O)O | InChi: | InChI=1S/C14H25NO10/c1-6(17)15-7-3-24-9(11(19)10(7)18)4-23-5-14(22)13(21)12(20)8(2-16)25-14/h7-13,16,18-22H,2-5H2,1H3,(H,15,17)/t7-,8+,9+,10+,11+,12+,13-,14-/m0/s1 | 定義日: | 2019-05-30 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
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![O2H O2H](https://data.pdbj.org/pdbjplus/data/cc/svg/O2H.svg) | O2H | 表記: | ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | 組成式: | C31 H32 N4 O5 | SMILES: | CCCC1=Nc2ccc(NC(=O)Cc3ncc(Oc4ccnc5cc(OC)ccc45)cc3OC)cc2C(C)(C)O1 | InChi: | InChI=1S/C31H32N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,6-7,17H2,1-5H3,(H,34,36) | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide |
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