![F0Y F0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F0Y.svg) | F0Y | 表記: | methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate | 組成式: | C24 H28 N6 O2 | SMILES: | C(=O)(N1CCC(CC1)Cc4cc(C(Nc2nc3c(n2)ccc(n3)C)CC#N)ccc4)OC | InChi: | InChI=1S/C24H28N6O2/c1-16-6-7-21-22(26-16)29-23(28-21)27-20(8-11-25)19-5-3-4-18(15-19)14-17-9-12-30(13-10-17)24(31)32-2/h3-7,15,17,20H,8-10,12-14H2,1-2H3,(H2,26,27,28,29)/t20-/m1/s1 | 定義日: | 2018-02-23 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate |
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![F14 F14](https://data.pdbj.org/pdbjplus/data/cc/svg/F14.svg) | F14 | 表記: | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | 組成式: | C21 H21 N5 O3 | SMILES: | c1(ccc(cc1)Oc4cc(C(Nc3nc2N=C(CC(=O)n2n3)C)C)ccc4)OC | InChi: | InChI=1S/C21H21N5O3/c1-13-11-19(27)26-21(22-13)24-20(25-26)23-14(2)15-5-4-6-18(12-15)29-17-9-7-16(28-3)8-10-17/h4-10,12,14H,11H2,1-3H3,(H,23,25)/t14-/m1/s1 | 定義日: | 2018-02-23 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 2-({(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one |
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![F1D F1D](https://data.pdbj.org/pdbjplus/data/cc/svg/F1D.svg) | F1D | 表記: | methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate | 組成式: | C22 H25 N7 O4 | SMILES: | C(=O)(N4CCC(Oc3cc(C(Nc1nn2C(=O)CC(=Nc2n1)C)CC#N)ccc3)CC4)OC | InChi: | InChI=1S/C22H25N7O4/c1-14-12-19(30)29-21(24-14)26-20(27-29)25-18(6-9-23)15-4-3-5-17(13-15)33-16-7-10-28(11-8-16)22(31)32-2/h3-5,13,16,18H,6-8,10-12H2,1-2H3,(H,25,27)/t18-/m1/s1 | 定義日: | 2018-02-23 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | methyl 4-(3-{(1R)-2-cyano-1-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]ethyl}phenoxy)piperidine-1-carboxylate |
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![F1V F1V](https://data.pdbj.org/pdbjplus/data/cc/svg/F1V.svg) | F1V | 表記: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide | 組成式: | C16 H22 N2 O2 | SMILES: | c1(OC)ccc2c(c1)c(CCNC(=O)C(C)(C)C)cn2 | InChi: | InChI=1S/C16H22N2O2/c1-16(2,3)15(19)17-8-7-11-10-18-14-6-5-12(20-4)9-13(11)14/h5-6,9-10,18H,7-8H2,1-4H3,(H,17,19) | 定義日: | 2018-02-23 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,2-dimethylpropanamide |
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![F5D F5D](https://data.pdbj.org/pdbjplus/data/cc/svg/F5D.svg) | F5D | 表記: | 5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine | 組成式: | C20 H32 N7 O15 P3 S | SMILES: | c12c(N)ncnc1n(cn2)C5C(C(C(COP(=O)(OC(CCCCC3SCC4C3NC(N4)O)=O)OP(=O)(O)OP(=O)(O)O)O5)O)O | InChi: | InChI=1S/C20H32N7O15P3S/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(39-19)5-38-45(37,42-44(35,36)41-43(32,33)34)40-12(28)4-2-1-3-11-13-9(6-46-11)25-20(31)26-13/h7-11,13,15-16,19-20,25-26,29-31H,1-6H2,(H,35,36)(H2,21,22,23)(H2,32,33,34)/t9-,10+,11-,13?,15+,16+,19+,20+,45-/m0/s1 | 定義日: | 2018-02-28 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 5'-O-[(S)-({5-[(2R,3aS,4S,6aR)-2-hydroxyhexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy){[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]adenosine |
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![F6D F6D](https://data.pdbj.org/pdbjplus/data/cc/svg/F6D.svg) | F6D | 表記: | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile | 組成式: | C24 H25 Cl N8 O | SMILES: | c1(OC)ccccc1C(CNc2n4c(nc(C)c2)nc(NC(CC#N)c3cc(ccc3)Cl)n4)N | InChi: | InChI=1S/C24H25ClN8O/c1-15-12-22(28-14-19(27)18-8-3-4-9-21(18)34-2)33-24(29-15)31-23(32-33)30-20(10-11-26)16-6-5-7-17(25)13-16/h3-9,12-13,19-20,28H,10,14,27H2,1-2H3,(H,30,32)/t19-,20-/m1/s1 | 定義日: | 2018-03-02 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | (3R)-3-[(7-{[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]-3-(3-chlorophenyl)propanenitrile |
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![F6J F6J](https://data.pdbj.org/pdbjplus/data/cc/svg/F6J.svg) | F6J | 表記: | 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid | 組成式: | C24 H22 N2 O2 | SMILES: | CC(Cc1c(ccc(c1)c2cnc3ncc(cc23)c4ccccc4)C(O)=O)C | InChi: | InChI=1S/C24H22N2O2/c1-15(2)10-18-11-17(8-9-20(18)24(27)28)22-14-26-23-21(22)12-19(13-25-23)16-6-4-3-5-7-16/h3-9,11-15H,10H2,1-2H3,(H,25,26)(H,27,28) | 定義日: | 2018-03-05 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid |
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![F87 F87](https://data.pdbj.org/pdbjplus/data/cc/svg/F87.svg) | F87 | 表記: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | 組成式: | C21 H23 F2 N5 O2 | SMILES: | n2cc1N(C(=O)C(C)N(c1nc2Nc3cc(F)c(O)c(c3)F)CCC(C)C)CC#C | InChi: | InChI=1S/C21H23F2N5O2/c1-5-7-28-17-11-24-21(25-14-9-15(22)18(29)16(23)10-14)26-19(17)27(8-6-12(2)3)13(4)20(28)30/h1,9-13,29H,6-8H2,2-4H3,(H,24,25,26)/t13-/m1/s1 | 定義日: | 2018-03-13 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
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![QWV QWV](https://data.pdbj.org/pdbjplus/data/cc/svg/QWV.svg) | QWV | 表記: | N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide | 組成式: | C59 H107 N O9 | SMILES: | C(OC2C(C(C(O)C(COC(CCc1ccccc1)=O)O2)O)O)C(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCC)O | InChi: | InChI=1S/C59H107NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41-45-54(62)60-51(52(61)44-40-35-33-31-29-27-16-14-12-10-8-6-4-2)48-68-59-58(66)57(65)56(64)53(69-59)49-67-55(63)47-46-50-42-38-37-39-43-50/h37-39,42-43,51-53,56-59,61,64-66H,3-36,40-41,44-49H2,1-2H3,(H,60,62)/t51-,52+,53+,56-,57-,58+,59-/m0/s1 | 定義日: | 2017-11-20 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide |
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![98D 98D](https://data.pdbj.org/pdbjplus/data/cc/svg/98D.svg) | 98D | 表記: | 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | 組成式: | C26 H30 N8 O2 | SMILES: | n3cc2c(N(c1nc(C(O)C)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5 | InChi: | InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m0/s1 | 定義日: | 2017-04-09 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![98G 98G](https://data.pdbj.org/pdbjplus/data/cc/svg/98G.svg) | 98G | 表記: | 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | 組成式: | C26 H30 N8 O2 | SMILES: | n3cc2c(N(c1nc(C(C)O)ccc1)N(C2=O)CC=C)nc3Nc5ccc(N4CCN(C)CC4)cc5 | InChi: | InChI=1S/C26H30N8O2/c1-4-12-33-25(36)21-17-27-26(30-24(21)34(33)23-7-5-6-22(29-23)18(2)35)28-19-8-10-20(11-9-19)32-15-13-31(3)14-16-32/h4-11,17-18,35H,1,12-16H2,2-3H3,(H,27,28,30)/t18-/m1/s1 | 定義日: | 2017-04-09 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![99K 99K](https://data.pdbj.org/pdbjplus/data/cc/svg/99K.svg) | 99K | 表記: | 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine | 組成式: | C11 H6 Cl F3 N4 O2 | SMILES: | [O-][N+](=O)c1cccnc1Nc2ncc(cc2Cl)C(F)(F)F | InChi: | InChI=1S/C11H6ClF3N4O2/c12-7-4-6(11(13,14)15)5-17-9(7)18-10-8(19(20)21)2-1-3-16-10/h1-5H,(H,16,17,18) | 定義日: | 2017-05-02 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 3-chloranyl-~{N}-(3-nitropyridin-2-yl)-5-(trifluoromethyl)pyridin-2-amine |
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![99V 99V](https://data.pdbj.org/pdbjplus/data/cc/svg/99V.svg) | 99V | 表記: | 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | 組成式: | C27 H31 F N8 O2 | SMILES: | c1(nc(ccc1)N2N(C(=O)c3c2nc(nc3)Nc4cc(F)c(cc4)N5CCN(C)CC5)CC=C)C(O)(C)C | InChi: | InChI=1S/C27H31FN8O2/c1-5-11-35-25(37)19-17-29-26(32-24(19)36(35)23-8-6-7-22(31-23)27(2,3)38)30-18-9-10-21(20(28)16-18)34-14-12-33(4)13-15-34/h5-10,16-17,38H,1,11-15H2,2-4H3,(H,29,30,32) | 定義日: | 2017-04-11 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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![9CH 9CH](https://data.pdbj.org/pdbjplus/data/cc/svg/9CH.svg) | 9CH | 表記: | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione | 組成式: | C20 H20 Cl2 N8 O3 | SMILES: | CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4oc(nn4)c5ccc(Cl)c(Cl)c5)c2C1=O | InChi: | InChI=1S/C20H20Cl2N8O3/c1-27-16-15(18(31)28(2)20(27)32)30(19(24-16)29-7-5-23-6-8-29)10-14-25-26-17(33-14)11-3-4-12(21)13(22)9-11/h3-4,9,23H,5-8,10H2,1-2H3 | 定義日: | 2017-05-06 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione |
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![9CT 9CT](https://data.pdbj.org/pdbjplus/data/cc/svg/9CT.svg) | 9CT | 表記: | ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide | 組成式: | C23 H26 N4 O4 | SMILES: | CCC(=O)Nc1ccccc1C(=O)Nc2[nH]nc(CCc3cc(OC)cc(OC)c3)c2 | InChi: | InChI=1S/C23H26N4O4/c1-4-22(28)24-20-8-6-5-7-19(20)23(29)25-21-13-16(26-27-21)10-9-15-11-17(30-2)14-18(12-15)31-3/h5-8,11-14H,4,9-10H2,1-3H3,(H,24,28)(H2,25,26,27,29) | 定義日: | 2017-05-09 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | ~{N}-[3-[2-(3,5-dimethoxyphenyl)ethyl]-1~{H}-pyrazol-5-yl]-2-(propanoylamino)benzamide |
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![4CZ 4CZ](https://data.pdbj.org/pdbjplus/data/cc/svg/4CZ.svg) | 4CZ | 表記: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide | 組成式: | C30 H30 N2 O4 S2 | SMILES: | N(c2sc(c(c1ccccc1)n2)C(c3c(cccc3)CC(C)C)=O)C(Cc4ccc(cc4)S(CC)(=O)=O)=O | InChi: | InChI=1S/C30H30N2O4S2/c1-4-38(35,36)24-16-14-21(15-17-24)19-26(33)31-30-32-27(22-10-6-5-7-11-22)29(37-30)28(34)25-13-9-8-12-23(25)18-20(2)3/h5-17,20H,4,18-19H2,1-3H3,(H,31,32,33) | 定義日: | 2015-03-02 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide |
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![9QN 9QN](https://data.pdbj.org/pdbjplus/data/cc/svg/9QN.svg) | 9QN | 表記: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | 組成式: | C21 H23 Cl2 N3 O4 S | SMILES: | OC[CH]1CN(Cc2ccccn2)C(=O)[CH]3CCC[CH]1N3[S](=O)(=O)c4cc(Cl)cc(Cl)c4 | InChi: | InChI=1S/C21H23Cl2N3O4S/c22-15-8-16(23)10-18(9-15)31(29,30)26-19-5-3-6-20(26)21(28)25(11-14(19)13-27)12-17-4-1-2-7-24-17/h1-2,4,7-10,14,19-20,27H,3,5-6,11-13H2/t14-,19-,20+/m1/s1 | 定義日: | 2017-06-28 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one |
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![DL2 DL2](https://data.pdbj.org/pdbjplus/data/cc/svg/DL2.svg) | DL2 | 表記: | 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one | 組成式: | C18 H17 Cl N2 O4 | SMILES: | ClC1=CCC(=NC1=O)CC(=O)N2CCC3(CC2)Oc4ccccc4O3 | InChi: | InChI=1S/C18H17ClN2O4/c19-13-6-5-12(20-17(13)23)11-16(22)21-9-7-18(8-10-21)24-14-3-1-2-4-15(14)25-18/h1-4,6H,5,7-11H2 | 定義日: | 2018-01-24 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 5-chloranyl-2-(2-oxidanylidene-2-spiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl-ethyl)-3~{H}-pyridin-6-one |
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![DLB DLB](https://data.pdbj.org/pdbjplus/data/cc/svg/DLB.svg) | DLB | 表記: | 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid | 組成式: | C25 H28 Cl N O5 | SMILES: | CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccc(CCC(O)=O)cc3O2)c4ccc(Cl)cc4 | InChi: | InChI=1S/C25H28ClNO5/c1-16(2)23(18-5-7-19(26)8-6-18)24(30)27-13-11-25(12-14-27)31-20-9-3-17(4-10-22(28)29)15-21(20)32-25/h3,5-9,15-16,23H,4,10-14H2,1-2H3,(H,28,29)/t23-/m0/s1 | 定義日: | 2018-01-24 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 3-[1'-[(2~{S})-2-(4-chlorophenyl)-3-methyl-butanoyl]spiro[1,3-benzodioxole-2,4'-piperidine]-5-yl]propanoic acid |
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![B1S B1S](https://data.pdbj.org/pdbjplus/data/cc/svg/B1S.svg) | B1S | 表記: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C21 H31 N3 O8 S | SMILES: | C(c1ccccc1)OC(=O)NC(C(=O)NC(C(S(=O)(=O)O)O)CC2CCNC2=O)CC(C)C | InChi: | InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20+/m0/s1 | 定義日: | 2017-07-31 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![B1Y B1Y](https://data.pdbj.org/pdbjplus/data/cc/svg/B1Y.svg) | B1Y | 表記: | (1R,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C7 H14 N2 O5 S | SMILES: | NC(C(S(=O)(=O)O)O)CC1CCNC1=O | InChi: | InChI=1S/C7H14N2O5S/c8-5(7(11)15(12,13)14)3-4-1-2-9-6(4)10/h4-5,7,11H,1-3,8H2,(H,9,10)(H,12,13,14)/t4-,5-,7+/m0/s1 | 定義日: | 2017-07-31 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | (1R,2S)-2-amino-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![B3G B3G](https://data.pdbj.org/pdbjplus/data/cc/svg/B3G.svg) | B3G | 表記: | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | 組成式: | C22 H32 Cl N3 O8 S | SMILES: | C1(=O)NCCC1CC(NC(C(NC(=O)OCCc2cccc(c2)Cl)CC(C)C)=O)C(O)S(=O)(O)=O | InChi: | InChI=1S/C22H32ClN3O8S/c1-13(2)10-17(26-22(30)34-9-7-14-4-3-5-16(23)11-14)20(28)25-18(21(29)35(31,32)33)12-15-6-8-24-19(15)27/h3-5,11,13,15,17-18,21,29H,6-10,12H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/t15-,17-,18-,21+/m0/s1 | 定義日: | 2017-07-31 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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![BN7 BN7](https://data.pdbj.org/pdbjplus/data/cc/svg/BN7.svg) | BN7 | 表記: | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate | 組成式: | C14 H24 N2 O3 S | SMILES: | O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2 | InChi: | InChI=1S/C14H24N2O3S/c1-9(2)7-19-12(17)6-4-3-5-11-13-10(8-20-11)15-14(18)16-13/h9-11,13H,3-8H2,1-2H3,(H2,15,16,18)/t10-,11-,13-/m0/s1 | 定義日: | 2017-04-03 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate |
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![C6Z C6Z](https://data.pdbj.org/pdbjplus/data/cc/svg/C6Z.svg) | C6Z | 表記: | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol | 組成式: | C11 H8 Cl2 N2 S | SMILES: | Sc1ccc(Cc2ccc(Cl)cc2Cl)nn1 | InChi: | InChI=1S/C11H8Cl2N2S/c12-8-2-1-7(10(13)6-8)5-9-3-4-11(16)15-14-9/h1-4,6H,5H2,(H,15,16) | 定義日: | 2017-11-15 | 最終更新日: | 2018-03-29 | 公開日: | 2018-04-04 | 識別子(ID): | 6-[(2,4-dichlorophenyl)methyl]pyridazine-3-thiol |
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![F8Y F8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F8Y.svg) | F8Y | 表記: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | 組成式: | C18 H17 F2 N5 O2 | SMILES: | c1(c(c(cc(c1)Nc3nc2N(CC)C(C)C(=O)N(c2cn3)CC#C)F)O)F | InChi: | InChI=1S/C18H17F2N5O2/c1-4-6-25-14-9-21-18(22-11-7-12(19)15(26)13(20)8-11)23-16(14)24(5-2)10(3)17(25)27/h1,7-10,26H,5-6H2,2-3H3,(H,21,22,23)/t10-/m1/s1 | 定義日: | 2018-03-16 | 最終更新日: | 2018-03-23 | 公開日: | 2018-03-28 | 識別子(ID): | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
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