![7V4 7V4](https://data.pdbj.org/pdbjplus/data/cc/svg/7V4.svg) | 7V4 | 表記: | 6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid | 組成式: | C27 H31 N O5 | SMILES: | c3c(CN(C(C)C)C(c1ccc(cc1)c2ccoc2)=O)c(ccc3)OCCCCCC(O)=O | InChi: | InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-32-19-24)18-23-8-5-6-9-25(23)33-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30) | 定義日: | 2016-12-06 | 最終更新日: | 2017-03-17 | 公開日: | 2017-03-22 | 識別子(ID): | 6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid |
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![8AM 8AM](https://data.pdbj.org/pdbjplus/data/cc/svg/8AM.svg) | 8AM | 表記: | N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 組成式: | C20 H28 F N9 O2 | SMILES: | C1C(NC(=O)CC)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C(C)C)F | InChi: | InChI=1S/C20H28FN9O2/c1-6-15(31)23-13-9-29(7-12(13)21)20-25-17(24-14-8-28(4)27-19(14)32-5)16-18(26-20)30(10-22-16)11(2)3/h8,10-13H,6-7,9H2,1-5H3,(H,23,31)(H,24,25,26)/t12-,13-/m1/s1 | 定義日: | 2017-01-17 | 最終更新日: | 2017-03-17 | 公開日: | 2017-03-22 | 識別子(ID): | N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide |
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![8BP 8BP](https://data.pdbj.org/pdbjplus/data/cc/svg/8BP.svg) | 8BP | 表記: | N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 組成式: | C19 H26 F N9 O | SMILES: | C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2)c4c(n3)n(cn4)C(C)C)F | InChi: | InChI=1S/C19H26FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h6-7,10-11,13-14H,5,8-9H2,1-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1 | 定義日: | 2017-01-17 | 最終更新日: | 2017-03-17 | 公開日: | 2017-03-22 | 識別子(ID): | N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide |
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![8BS 8BS](https://data.pdbj.org/pdbjplus/data/cc/svg/8BS.svg) | 8BS | 表記: | N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 組成式: | C18 H24 F N9 O2 | SMILES: | C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C)F | InChi: | InChI=1S/C18H24FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h7,9-11H,5-6,8H2,1-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1 | 定義日: | 2017-01-17 | 最終更新日: | 2017-03-17 | 公開日: | 2017-03-22 | 識別子(ID): | N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide |
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![6X4 6X4](https://data.pdbj.org/pdbjplus/data/cc/svg/6X4.svg) | 6X4 | 表記: | [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium | 組成式: | C20 H37 N6 O8 | SMILES: | C[CH](O)C(=O)N[CH](C)C(=O)N[CH](CCC(=O)N[CH](CCCC[NH3+])C(=O)N[CH](C)C(N)=O)C(O)=O | InChi: | InChI=1S/C20H36N6O8/c1-10(16(22)29)23-19(32)13(6-4-5-9-21)25-15(28)8-7-14(20(33)34)26-17(30)11(2)24-18(31)12(3)27/h10-14,27H,4-9,21H2,1-3H3,(H2,22,29)(H,23,32)(H,24,31)(H,25,28)(H,26,30)(H,33,34)/p+1/t10-,11+,12-,13-,14-/m1/s1 | 定義日: | 2015-11-20 | 最終更新日: | 2017-03-16 | 公開日: | 2016-10-12 | 識別子(ID): | [6-[[(2~{R})-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-6-oxidanylidene-5-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[[(2~{R})-2-oxidanylpropanoyl]amino]propanoyl]amino]pentanoyl]amino]hexyl]azanium |
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![6GA 6GA](https://data.pdbj.org/pdbjplus/data/cc/svg/6GA.svg) | 6GA | 表記: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide | 組成式: | C17 H17 F N2 O3 | SMILES: | O=C(NCc1ccccc1)C(C(=O)NO)Cc2ccc(cc2)F | InChi: | InChI=1S/C17H17FN2O3/c18-14-8-6-12(7-9-14)10-15(17(22)20-23)16(21)19-11-13-4-2-1-3-5-13/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)/t15-/m0/s1 | 定義日: | 2016-04-05 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide |
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![7AM 7AM](https://data.pdbj.org/pdbjplus/data/cc/svg/7AM.svg) | 7AM | 表記: | [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid | 組成式: | C22 H21 N4 O4 P S | SMILES: | Cc1ccc(cc1)c2sc3ncnc(N[CH](Cc4ccccc4)C(=O)N[P](O)(O)=O)c3c2 | InChi: | InChI=1S/C22H21N4O4PS/c1-14-7-9-16(10-8-14)19-12-17-20(23-13-24-22(17)32-19)25-18(21(27)26-31(28,29)30)11-15-5-3-2-4-6-15/h2-10,12-13,18H,11H2,1H3,(H,23,24,25)(H3,26,27,28,29,30)/t18-/m0/s1 | 定義日: | 2016-07-25 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | [[(2~{S})-2-[[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoyl]amino]phosphonic acid |
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![7KE 7KE](https://data.pdbj.org/pdbjplus/data/cc/svg/7KE.svg) | 7KE | 表記: | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol | 組成式: | C11 H11 Cl N2 O2 | SMILES: | OCCCc1onc(n1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C11H11ClN2O2/c12-9-5-3-8(4-6-9)11-13-10(16-14-11)2-1-7-15/h3-6,15H,1-2,7H2 | 定義日: | 2016-11-04 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol |
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![8HB 8HB](https://data.pdbj.org/pdbjplus/data/cc/svg/8HB.svg) | 8HB | 表記: | (2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid | 組成式: | C24 H40 N7 O18 P3 S | SMILES: | C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)=O | InChi: | InChI=1S/C24H40N7O18P3S/c1-12(23(36)37)53-7-6-26-14(32)4-5-27-21(35)18(34)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(33)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-13,16-18,22,33-34H,4-9H2,1-3H3,(H,26,32)(H,27,35)(H,36,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t12-,13+,16+,17+,18-,22+/m0/s1 | 定義日: | 2017-02-07 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | (2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid |
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![8S7 8S7](https://data.pdbj.org/pdbjplus/data/cc/svg/8S7.svg) | 8S7 | 表記: | N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide | 組成式: | C8 H10 N2 O2 | SMILES: | N(c1cc(C)no1)C(C2CC2)=O | InChi: | InChI=1S/C8H10N2O2/c1-5-4-7(12-10-5)9-8(11)6-2-3-6/h4,6H,2-3H2,1H3,(H,9,11) | 定義日: | 2017-03-03 | 最終更新日: | 2017-03-10 | 公開日: | 2017-03-15 | 識別子(ID): | N-(3-methyl-1,2-oxazol-5-yl)cyclopropanecarboxamide |
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![6BX 6BX](https://data.pdbj.org/pdbjplus/data/cc/svg/6BX.svg) | 6BX | 表記: | (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid | 組成式: | C7 H15 N O5 S | SMILES: | O=S(O)(CC(CN1CCOCC1)O)=O | InChi: | InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m0/s1 | 定義日: | 2016-03-04 | 最終更新日: | 2017-03-03 | 公開日: | 2017-03-08 | 識別子(ID): | (2S)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid |
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![6BY 6BY](https://data.pdbj.org/pdbjplus/data/cc/svg/6BY.svg) | 6BY | 表記: | (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid | 組成式: | C7 H15 N O5 S | SMILES: | OS(CC(O)CN1CCOCC1)(=O)=O | InChi: | InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1 | 定義日: | 2016-03-04 | 最終更新日: | 2017-03-03 | 公開日: | 2017-03-08 | 識別子(ID): | (2R)-2-hydroxy-3-(morpholin-4-yl)propane-1-sulfonic acid |
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![6TN 6TN](https://data.pdbj.org/pdbjplus/data/cc/svg/6TN.svg) | 6TN | 表記: | [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone | 組成式: | C19 H23 N3 O4 | SMILES: | CCOc1ncc2CN(CCc2n1)C(=O)c3cc(C(C)C)c(O)cc3O | InChi: | InChI=1S/C19H23N3O4/c1-4-26-19-20-9-12-10-22(6-5-15(12)21-19)18(25)14-7-13(11(2)3)16(23)8-17(14)24/h7-9,11,23-24H,4-6,10H2,1-3H3 | 定義日: | 2016-06-22 | 最終更新日: | 2017-03-03 | 公開日: | 2017-03-08 | 識別子(ID): | [2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-(2-ethoxy-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-6-yl)methanone |
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![8LA 8LA](https://data.pdbj.org/pdbjplus/data/cc/svg/8LA.svg) | 8LA | 表記: | N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea | 組成式: | C24 H29 Cl N2 O6 | SMILES: | c3(C(C)(C)NC(=O)Nc1ccc(c(c1)OC2C(O)C(O)C(CO)O2)Cl)cccc(c3)/C(C)=C | InChi: | InChI=1S/C24H29ClN2O6/c1-13(2)14-6-5-7-15(10-14)24(3,4)27-23(31)26-16-8-9-17(25)18(11-16)32-22-21(30)20(29)19(12-28)33-22/h5-11,19-22,28-30H,1,12H2,2-4H3,(H2,26,27,31)/t19-,20-,21-,22+/m1/s1 | 定義日: | 2017-02-13 | 最終更新日: | 2017-03-03 | 公開日: | 2017-03-08 | 識別子(ID): | N-[4-chloro-3-(alpha-D-ribofuranosyloxy)phenyl]-N'-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}urea |
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![8N1 8N1](https://data.pdbj.org/pdbjplus/data/cc/svg/8N1.svg) | 8N1 | 表記: | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-xylofuranosylamine | 組成式: | C24 H30 Cl N3 O5 | SMILES: | c1(cccc(c1)C(=C)C)C(C)(C)NC(Nc2ccc(c(c2)NC3OC(C(C3O)O)CO)Cl)=O | InChi: | InChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20+,21-,22-/m1/s1 | 定義日: | 2017-02-20 | 最終更新日: | 2017-03-03 | 公開日: | 2017-03-08 | 識別子(ID): | N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-xylofuranosylamine |
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![ZMO ZMO](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMO.svg) | ZMO | 表記: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate | 組成式: | C29 H55 N2 O8 P S | SMILES: | OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C/CCCCCCCC)O | InChi: | InChI=1S/C29H55N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(33)41-23-22-30-25(32)20-21-31-28(35)27(34)29(2,3)24-39-40(36,37)38/h11-12,27,34H,4-10,13-24H2,1-3H3,(H,30,32)(H,31,35)(H2,36,37,38)/b12-11-/t27-/m1/s1 | 定義日: | 2008-09-23 | 最終更新日: | 2017-02-28 | 識別子(ID): | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate |
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![ZMQ ZMQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZMQ.svg) | ZMQ | 表記: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate | 組成式: | C27 H51 N2 O8 P S | SMILES: | OP(=O)(OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C/CCCCCC)O | InChi: | InChI=1S/C27H51N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)39-21-20-28-23(30)18-19-29-26(33)25(32)27(2,3)22-37-38(34,35)36/h9-10,25,32H,4-8,11-22H2,1-3H3,(H,28,30)(H,29,33)(H2,34,35,36)/b10-9-/t25-/m1/s1 | 定義日: | 2008-09-19 | 最終更新日: | 2017-02-28 | 識別子(ID): | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate |
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![6K0 6K0](https://data.pdbj.org/pdbjplus/data/cc/svg/6K0.svg) | 6K0 | 表記: | N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea | 組成式: | C22 H19 F2 N7 O2 | SMILES: | c1n(C(C)C)c4c(c1C(c3ccnc(NC(Nc2c(cc(cc2)F)F)=O)c3)=O)c(N)ncn4 | InChi: | InChI=1S/C22H19F2N7O2/c1-11(2)31-9-14(18-20(25)27-10-28-21(18)31)19(32)12-5-6-26-17(7-12)30-22(33)29-16-4-3-13(23)8-15(16)24/h3-11H,1-2H3,(H2,25,27,28)(H2,26,29,30,33) | 定義日: | 2016-04-20 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea |
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![6K1 6K1](https://data.pdbj.org/pdbjplus/data/cc/svg/6K1.svg) | 6K1 | 表記: | N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide | 組成式: | C23 H21 Cl N6 O2 | SMILES: | c2c(c1c(ncnc1n2C(C)C)N)C(=O)c4cncc(NC(Cc3ccc(cc3)Cl)=O)c4 | InChi: | InChI=1S/C23H21ClN6O2/c1-13(2)30-11-18(20-22(25)27-12-28-23(20)30)21(32)15-8-17(10-26-9-15)29-19(31)7-14-3-5-16(24)6-4-14/h3-6,8-13H,7H2,1-2H3,(H,29,31)(H2,25,27,28) | 定義日: | 2016-04-20 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide |
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![6K2 6K2](https://data.pdbj.org/pdbjplus/data/cc/svg/6K2.svg) | 6K2 | 表記: | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide | 組成式: | C24 H20 N6 O2 | SMILES: | c1n(C(C)C)c4c(c1C(c2cncc(c2)NC(=O)Cc3ccc(cc3)C#N)=O)cncn4 | InChi: | InChI=1S/C24H20N6O2/c1-15(2)30-13-21(20-12-27-14-28-24(20)30)23(32)18-8-19(11-26-10-18)29-22(31)7-16-3-5-17(9-25)6-4-16/h3-6,8,10-15H,7H2,1-2H3,(H,29,31) | 定義日: | 2016-04-20 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | 2-(4-cyanophenyl)-N-{5-[7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}acetamide |
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![6K4 6K4](https://data.pdbj.org/pdbjplus/data/cc/svg/6K4.svg) | 6K4 | 表記: | N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide | 組成式: | C23 H22 Cl N7 O3 | SMILES: | C(O)C(C)(C)n2cc(c1cnc(N)nc12)C(=O)c4cc(NC(Cc3ncc(cc3)Cl)=O)cnc4 | InChi: | InChI=1S/C23H22ClN7O3/c1-23(2,12-32)31-11-18(17-10-28-22(25)30-21(17)31)20(34)13-5-16(9-26-7-13)29-19(33)6-15-4-3-14(24)8-27-15/h3-5,7-11,32H,6,12H2,1-2H3,(H,29,33)(H2,25,28,30) | 定義日: | 2016-04-20 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | N-{5-[2-amino-7-(1-hydroxy-2-methylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(5-chloropyridin-2-yl)acetamide |
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![755 755](https://data.pdbj.org/pdbjplus/data/cc/svg/755.svg) | 755 | 表記: | 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid | 組成式: | C18 H25 Cl N2 O3 | SMILES: | OC(=O)c2c(NCC1C(CCC1)NC(C(C)(C)C)=O)cc(Cl)cc2 | InChi: | InChI=1S/C18H25ClN2O3/c1-18(2,3)17(24)21-14-6-4-5-11(14)10-20-15-9-12(19)7-8-13(15)16(22)23/h7-9,11,14,20H,4-6,10H2,1-3H3,(H,21,24)(H,22,23)/t11-,14-/m0/s1 | 定義日: | 2016-08-25 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | 4-chloro-2-[({(1S,2S)-2-[(2,2-dimethylpropanoyl)amino]cyclopentyl}methyl)amino]benzoic acid |
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![758 758](https://data.pdbj.org/pdbjplus/data/cc/svg/758.svg) | 758 | 表記: | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide | 組成式: | C16 H19 Cl N4 O2 | SMILES: | c1(ccc(c(c1)C(=O)Nc2nccn2)Cl)CNC(=O)C(C)(C)C | InChi: | InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22) | 定義日: | 2016-08-25 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | 2-chloro-5-{[(2,2-dimethylpropanoyl)amino]methyl}-N-(1H-imidazol-2-yl)benzamide |
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![7GF 7GF](https://data.pdbj.org/pdbjplus/data/cc/svg/7GF.svg) | 7GF | 表記: | methyl (2Z)-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate | 組成式: | C13 H13 Br N2 O3 S | SMILES: | COC(=O)C(CN)=C1SCC(=O)N1c2ccc(Br)cc2 | InChi: | InChI=1S/C13H13BrN2O3S/c1-19-13(18)10(6-15)12-16(11(17)7-20-12)9-4-2-8(14)3-5-9/h2-5H,6-7,15H2,1H3/b12-10- | 定義日: | 2016-10-20 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | methyl (2~{Z})-3-azanyl-2-[3-(4-bromophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]propanoate |
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![8KY 8KY](https://data.pdbj.org/pdbjplus/data/cc/svg/8KY.svg) | 8KY | 表記: | {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid | 組成式: | C21 H23 Cl N2 O4 | SMILES: | CC(c1cccc(C(=C)C)c1)(C)NC(=O)Nc2cc(OCC(=O)O)c(Cl)cc2 | InChi: | InChI=1S/C21H23ClN2O4/c1-13(2)14-6-5-7-15(10-14)21(3,4)24-20(27)23-16-8-9-17(22)18(11-16)28-12-19(25)26/h5-11H,1,12H2,2-4H3,(H,25,26)(H2,23,24,27) | 定義日: | 2017-02-13 | 最終更新日: | 2017-02-24 | 公開日: | 2017-03-01 | 識別子(ID): | {2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenoxy}acetic acid |
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