![0Y3 0Y3](https://data.pdbj.org/pdbjplus/data/cc/svg/0Y3.svg) | 0Y3 | 表記: | N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide | 組成式: | C54 H66 N8 O14 S2 | SMILES: | O=S(=O)(N(OC(C)C)C(C(=O)NO)CCNC(=O)CCCNC(=O)c3cccc(C(=O)NCCCC(=O)NCCC(C(=O)NO)N(OC(C)C)S(=O)(=O)c2ccc(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5 | InChi: | InChI=1S/C54H66N8O14S2/c1-37(2)75-61(77(71,72)45-26-22-41(23-27-45)39-14-7-5-8-15-39)47(53(67)59-69)30-34-55-49(63)20-12-32-57-51(65)43-18-11-19-44(36-43)52(66)58-33-13-21-50(64)56-35-31-48(54(68)60-70)62(76-38(3)4)78(73,74)46-28-24-42(25-29-46)40-16-9-6-10-17-40/h5-11,14-19,22-29,36-38,47-48,69-70H,12-13,20-21,30-35H2,1-4H3,(H,55,63)(H,56,64)(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t47-,48-/m1/s1 | 定義日: | 2012-09-18 | 最終更新日: | 2013-04-19 | 公開日: | 2013-04-24 | 識別子(ID): | N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide |
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![RI9 RI9](https://data.pdbj.org/pdbjplus/data/cc/svg/RI9.svg) | RI9 | 表記: | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide | 組成式: | C16 H20 F2 N6 O4 S | SMILES: | O=C(Nc1ncnc(c1)NCCO)Nc2c(F)ccc(NS(=O)(=O)CCC)c2F | InChi: | InChI=1S/C16H20F2N6O4S/c1-2-7-29(27,28)24-11-4-3-10(17)15(14(11)18)23-16(26)22-13-8-12(19-5-6-25)20-9-21-13/h3-4,8-9,24-25H,2,5-7H2,1H3,(H3,19,20,21,22,23,26) | 定義日: | 2012-04-10 | 最終更新日: | 2013-04-19 | 公開日: | 2013-04-24 | 識別子(ID): | N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide |
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![1K7 1K7](https://data.pdbj.org/pdbjplus/data/cc/svg/1K7.svg) | 1K7 | 表記: | (1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine | 組成式: | C13 H20 N2 | SMILES: | N[CH](CCc1ccccc1)C[CH]2C[CH]2N | InChi: | InChI=1S/C13H20N2/c14-12(8-11-9-13(11)15)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t11-,12-,13+/m1/s1 | 定義日: | 2013-03-01 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | (1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine |
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![1KR 1KR](https://data.pdbj.org/pdbjplus/data/cc/svg/1KR.svg) | 1KR | 表記: | benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate | 組成式: | C32 H43 N3 O6 | SMILES: | O=C(NC3CC3CC(NC(=O)C(NC(=O)OCc1ccccc1)C)CCc2ccccc2)C(O)C(C=O)C(C)CC | InChi: | InChI=1S/C32H43N3O6/c1-4-21(2)27(19-36)29(37)31(39)35-28-18-25(28)17-26(16-15-23-11-7-5-8-12-23)34-30(38)22(3)33-32(40)41-20-24-13-9-6-10-14-24/h5-14,19,21-22,25-29,37H,4,15-18,20H2,1-3H3,(H,33,40)(H,34,38)(H,35,39)/t21-,22-,25+,26+,27-,28-,29+/m0/s1 | 定義日: | 2013-03-12 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]amino}cyclopropyl]-4-phenylbutan-2-yl}amino)-1-oxopropan-2-yl]carbamate |
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![1L8 1L8](https://data.pdbj.org/pdbjplus/data/cc/svg/1L8.svg) | 1L8 | 表記: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide | 組成式: | C23 H25 F4 N3 O3 S | SMILES: | O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(c(F)c2)CNCC3)Cc4cccc(c4)C(F)(F)F | InChi: | InChI=1S/C23H25F4N3O3S/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2/t21-/m1/s1 | 定義日: | 2013-03-15 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide |
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![1MK 1MK](https://data.pdbj.org/pdbjplus/data/cc/svg/1MK.svg) | 1MK | 表記: | chlorido(eta-6-p-cymene)(N-fluorophenyl-2-pyridinecarbothioamide)osmium(II) | 組成式: | C22 H23 Cl F N2 Os S | SMILES: | Fc1ccc(cc1)NC(=S)c2n(cccc2)[Os]4(Cl)C=3(C=CC4(=CC=3)C(C)C)C | InChi: | InChI=1S/C12H9FN2S.C10H14.ClH.Os/c13-9-4-6-10(7-5-9)15-12(16)11-3-1-2-8-14-11 | 定義日: | 2013-04-01 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | chloro[N-(4-fluorophenyl)pyridine-2-carbothioamide-kappaN~1~][1-methyl-4-(propan-2-yl)benzene-kappa~2~C~1~,C~4~]osmium |
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![0SC 0SC](https://data.pdbj.org/pdbjplus/data/cc/svg/0SC.svg) | 0SC | 表記: | 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol | 組成式: | C28 H33 F N6 O2 | SMILES: | Fc6ccc1c(ccn1)c6c3nc(N2CCOCC2)c4nc(ccc4n3)CN5CCC(C(O)(C)C)CC5 | InChi: | InChI=1S/C28H33FN6O2/c1-28(2,36)18-8-11-34(12-9-18)17-19-3-5-23-25(31-19)27(35-13-15-37-16-14-35)33-26(32-23)24-20-7-10-30-22(20)6-4-21(24)29/h3-7,10,18,30,36H,8-9,11-17H2,1-2H3 | 定義日: | 2012-05-21 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol |
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![0SD 0SD](https://data.pdbj.org/pdbjplus/data/cc/svg/0SD.svg) | 0SD | 表記: | 2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol | 組成式: | C27 H33 N7 O2 | SMILES: | n3c(nc1c(nc(cc1)CN2CCC(C(O)(C)C)CC2)c3N4CCOCC4)c6cccc5nncc56 | InChi: | InChI=1S/C27H33N7O2/c1-27(2,35)18-8-10-33(11-9-18)17-19-6-7-23-24(29-19)26(34-12-14-36-15-13-34)31-25(30-23)20-4-3-5-22-21(20)16-28-32-22/h3-7,16,18,35H,8-15,17H2,1-2H3,(H,28,32) | 定義日: | 2012-05-21 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | 2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol |
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![0SE 0SE](https://data.pdbj.org/pdbjplus/data/cc/svg/0SE.svg) | 0SE | 表記: | 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol | 組成式: | C24 H32 N8 O2 | SMILES: | n3c(nc1c(nc(cc1)CN2CCC(C(O)(C)C)CC2)c3N4CCOCC4)c5cnc(nc5)N | InChi: | InChI=1S/C24H32N8O2/c1-24(2,33)17-5-7-31(8-6-17)15-18-3-4-19-20(28-18)22(32-9-11-34-12-10-32)30-21(29-19)16-13-26-23(25)27-14-16/h3-4,13-14,17,33H,5-12,15H2,1-2H3,(H2,25,26,27) | 定義日: | 2012-05-21 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol |
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![ELJ ELJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ELJ.svg) | ELJ | 表記: | chlorido(eta-6-p-cymene)(N-phenyl-2-pyridinecarbothioamide)osmium(II) | 組成式: | C22 H24 Cl N2 Os S | SMILES: | Cl[Os]2S=C(c1ccccn12)Nc3ccccc3.c1cc(ccc1C(C)C)C | InChi: | InChI=1S/C12H10N2S.C10H14.ClH.Os/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10 | 定義日: | 2013-03-09 | 最終更新日: | 2013-04-12 | 公開日: | 2013-04-17 | 識別子(ID): | chloro(N-phenylpyridine-2-carbothioamide-kappa~2~N~1~,S)osmium - 1-methyl-4-(propan-2-yl)benzene (1:1) |
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![SVY SVY](https://data.pdbj.org/pdbjplus/data/cc/svg/SVY.svg) | SVY | 表記: | O-[BIS(1-METHYLETHOXY)PHOSPHORYL]-L-SERINE | 組成式: | C9 H20 N O6 P | SMILES: | O=C(O)C(N)COP(=O)(OC(C)C)OC(C)C | InChi: | InChI=1S/C9H20NO6P/c1-6(2)15-17(13,16-7(3)4)14-5-8(10)9(11)12/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1 | 定義日: | 2007-02-13 | 最終更新日: | 2013-04-11 | 識別子(ID): | O-[bis(propan-2-yloxy)phosphoryl]-L-serine |
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![UPV UPV](https://data.pdbj.org/pdbjplus/data/cc/svg/UPV.svg) | UPV | 表記: | 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) | 組成式: | C15 H23 N2 O11 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCOC(=O)C(C)(C)C)C2O | InChi: | InChI=1S/C15H23N2O11P/c1-15(2,3)13(20)26-7-25-11-10(19)8(6-27-29(22,23)24)28-12(11)17-5-4-9(18)16-14(17)21/h4-5,8,10-12,19H,6-7H2,1-3H3,(H,16,18,21)(H2,22,23,24)/t8-,10-,11-,12-/m1/s1 | 定義日: | 2012-07-30 | 最終更新日: | 2013-04-05 | 公開日: | 2013-04-10 | 識別子(ID): | 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) |
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![1HR 1HR](https://data.pdbj.org/pdbjplus/data/cc/svg/1HR.svg) | 1HR | 表記: | (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid | 組成式: | C11 H8 Cl2 O3 | SMILES: | O=C(O)C2CC2C(=O)c1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1 | 定義日: | 2013-02-07 | 最終更新日: | 2013-04-05 | 公開日: | 2013-04-10 | 識別子(ID): | (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid |
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![1LB 1LB](https://data.pdbj.org/pdbjplus/data/cc/svg/1LB.svg) | 1LB | 表記: | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide | 組成式: | C11 H10 N4 O | SMILES: | N#CC(C(=O)N)Cc1cc2c(cc1)nnc2 | InChi: | InChI=1S/C11H10N4O/c12-5-8(11(13)16)3-7-1-2-10-9(4-7)6-14-15-10/h1-2,4,6,8H,3H2,(H2,13,16)(H,14,15)/t8-/m0/s1 | 定義日: | 2013-03-18 | 最終更新日: | 2013-04-05 | 公開日: | 2013-04-10 | 識別子(ID): | (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide |
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![1LC 1LC](https://data.pdbj.org/pdbjplus/data/cc/svg/1LC.svg) | 1LC | 表記: | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide | 組成式: | C18 H14 N4 O2 | SMILES: | N#CC(C(=O)N)Cc1cccc(c1)C(=O)c3c2cccnc2nc3 | InChi: | InChI=1S/C18H14N4O2/c19-9-13(17(20)24)8-11-3-1-4-12(7-11)16(23)15-10-22-18-14(15)5-2-6-21-18/h1-7,10,13H,8H2,(H2,20,24)(H,21,22)/t13-/m1/s1 | 定義日: | 2013-03-18 | 最終更新日: | 2013-04-05 | 公開日: | 2013-04-10 | 識別子(ID): | (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide |
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![1LE 1LE](https://data.pdbj.org/pdbjplus/data/cc/svg/1LE.svg) | 1LE | 表記: | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide | 組成式: | C24 H28 N4 O5 | SMILES: | N#CC(C(=O)NC(C)(C)CO)Cc1cc2c(cc1)nnc2c3cc(OC)c(OC)c(OC)c3 | InChi: | InChI=1S/C24H28N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-7,9-11,16,29H,8,13H2,1-5H3,(H,26,30)(H,27,28)/t16-/m0/s1 | 定義日: | 2013-03-18 | 最終更新日: | 2013-04-05 | 公開日: | 2013-04-10 | 識別子(ID): | (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide |
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![1A9 1A9](https://data.pdbj.org/pdbjplus/data/cc/svg/1A9.svg) | 1A9 | 表記: | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide | 組成式: | C22 H25 N3 O4 S3 | SMILES: | O=C4SC=C(c3cc(NS(=O)(=O)c1sccc1)cc(NC(=O)CCC2CCCCC2)c3)N4 | InChi: | InChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27) | 定義日: | 2012-11-15 | 最終更新日: | 2013-03-29 | 公開日: | 2013-04-03 | 識別子(ID): | 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide |
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![Q21 Q21](https://data.pdbj.org/pdbjplus/data/cc/svg/Q21.svg) | Q21 | 表記: | (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide | 組成式: | C25 H19 N3 O3 | SMILES: | O=C(Nc1cc2nc(oc2cc1)c3ccncc3)C(Oc5c4ccccc4ccc5)C | InChi: | InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1 | 定義日: | 2013-01-28 | 最終更新日: | 2013-03-29 | 公開日: | 2013-04-03 | 識別子(ID): | (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide |
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![RU7 RU7](https://data.pdbj.org/pdbjplus/data/cc/svg/RU7.svg) | RU7 | 表記: | PARA-CYMENE RUTHENIUM CHLORIDE | 組成式: | C10 H14 Cl2 Ru | SMILES: | Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C | InChi: | InChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10 | 定義日: | 2005-05-13 | 最終更新日: | 2013-03-25 | 識別子(ID): | dichlororuthenium; 1-methyl-4-[(2R)-propan-2-yl]benzene |
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![SV2 SV2](https://data.pdbj.org/pdbjplus/data/cc/svg/SV2.svg) | SV2 | 表記: | [{2-[(guanine-9-yl)methyl]propane-1,3-diyl}bis(oxymethylene)]bis(phosphonic acid) | 組成式: | C11 H19 N5 O9 P2 | SMILES: | O=P(O)(O)COCC(COCP(=O)(O)O)Cn1c2NC(=NC(=O)c2nc1)N | InChi: | InChI=1S/C11H19N5O9P2/c12-11-14-9-8(10(17)15-11)13-4-16(9)1-7(2-24-5-26(18,19)20)3-25-6-27(21,22)23/h4,7H,1-3,5-6H2,(H2,18,19,20)(H2,21,22,23)(H3,12,14,15,17) | 定義日: | 2013-02-20 | 最終更新日: | 2013-03-22 | 公開日: | 2013-03-27 | 識別子(ID): | [{2-[(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methyl]propane-1,3-diyl}bis(oxymethanediyl)]bis(phosphonic acid) |
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![1L4 1L4](https://data.pdbj.org/pdbjplus/data/cc/svg/1L4.svg) | 1L4 | 表記: | N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide | 組成式: | C23 H25 F N4 O3 S | SMILES: | O=C(N1CCCC1)C(NS(=O)(=O)c2cc3c(c(F)c2)CNCC3)Cc4cccc(C#N)c4 | InChi: | InChI=1S/C23H25FN4O3S/c24-21-13-19(12-18-6-7-26-15-20(18)21)32(30,31)27-22(23(29)28-8-1-2-9-28)11-16-4-3-5-17(10-16)14-25/h3-5,10,12-13,22,26-27H,1-2,6-9,11,15H2/t22-/m1/s1 | 定義日: | 2013-03-13 | 最終更新日: | 2013-03-22 | 公開日: | 2013-03-27 | 識別子(ID): | N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide |
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![15S 15S](https://data.pdbj.org/pdbjplus/data/cc/svg/15S.svg) | 15S | 表記: | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide | 組成式: | C27 H29 F N4 O3 | SMILES: | Fc1ccc(cc1)C5=CCN(C(=O)C(NC(=O)CN4C2c3c(cccc3C(=O)NC2)CC4)C)CC5 | InChi: | InChI=1S/C27H29FN4O3/c1-17(27(35)31-12-9-19(10-13-31)18-5-7-21(28)8-6-18)30-24(33)16-32-14-11-20-3-2-4-22-25(20)23(32)15-29-26(22)34/h2-9,17,23H,10-16H2,1H3,(H,29,34)(H,30,33)/t17-,23-/m0/s1 | 定義日: | 2012-10-16 | 最終更新日: | 2013-03-22 | 公開日: | 2013-03-27 | 識別子(ID): | N-{(2S)-1-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-1-oxopropan-2-yl}-2-[(9aR)-7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[de][1,7]naphthyridin-1-yl]acetamide |
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![WT4 WT4](https://data.pdbj.org/pdbjplus/data/cc/svg/WT4.svg) | WT4 | 表記: | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine | 組成式: | C14 H25 N3 O6 S2 | SMILES: | O=C(NC(C(=O)O)CSC)C(NC(=O)CCCC(C(=O)O)N)CCS | InChi: | InChI=1S/C14H25N3O6S2/c1-25-7-10(14(22)23)17-12(19)9(5-6-24)16-11(18)4-2-3-8(15)13(20)21/h8-10,24H,2-7,15H2,1H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,10+/m0/s1 | 定義日: | 2013-01-25 | 最終更新日: | 2013-03-15 | 公開日: | 2013-03-20 | 識別子(ID): | N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-S-methyl-D-cysteine |
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![1FW 1FW](https://data.pdbj.org/pdbjplus/data/cc/svg/1FW.svg) | 1FW | 表記: | (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide | 組成式: | C20 H21 F N4 O2 S | SMILES: | O=C(Nc1nccs1)C(N3C=Nc2ccc(F)cc2C3=O)CC4CCCCC4 | InChi: | InChI=1S/C20H21FN4O2S/c21-14-6-7-16-15(11-14)19(27)25(12-23-16)17(10-13-4-2-1-3-5-13)18(26)24-20-22-8-9-28-20/h6-9,11-13,17H,1-5,10H2,(H,22,24,26)/t17-/m0/s1 | 定義日: | 2013-01-18 | 最終更新日: | 2013-03-15 | 公開日: | 2013-03-20 | 識別子(ID): | (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide |
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![1FX 1FX](https://data.pdbj.org/pdbjplus/data/cc/svg/1FX.svg) | 1FX | 表記: | (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide | 組成式: | C20 H21 F N4 O3 S | SMILES: | O=C(Nc1nccs1)C(N3C(=O)c2cc(F)ccc2NC3=O)CC4CCCCC4 | InChi: | InChI=1S/C20H21FN4O3S/c21-13-6-7-15-14(11-13)18(27)25(20(28)23-15)16(10-12-4-2-1-3-5-12)17(26)24-19-22-8-9-29-19/h6-9,11-12,16H,1-5,10H2,(H,23,28)(H,22,24,26)/t16-/m0/s1 | 定義日: | 2013-01-18 | 最終更新日: | 2013-03-15 | 公開日: | 2013-03-20 | 識別子(ID): | (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide |
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