Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide

Protein Data Bank Japan2024-04-03 更新2026-03-21 收录

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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide Descriptor: (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... Authors: Sheriff, S. Deposit date: 2013-11-14 Release date: 2014-03-19 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57, 2014

本数据集收录丙型肝炎病毒NS5B RNA依赖型RNA聚合酶（RNA-dependent RNA polymerase）复合物与BMS-791325（别名(1aR,12bS)-8-环己基-N-(二甲基磺酰基)-11-甲氧基-1a-{[(1R,5S)-3-甲基-3,8-二氮杂双环[3.2.1]辛-8-基]羰基}-1,1a,2,12b-四氢环丙并[d]吲哚并[2,1-a][2]苯并氮杂卓-5-甲酰胺）以及2-(4-氟苯基)-N-甲基-6-[(甲基磺酰基)氨基]-5-(异丙氧基)-1-苯并呋喃-3-甲酰胺结合状态的晶体结构。描述项：(1aR,12bS)-8-环己基-N-(二甲基磺酰基)-11-甲氧基-1a-{[(1R,5S)-3-甲基-3,8-二氮杂双环[3.2.1]辛-8-基]羰基}-1,1a,2,12b-四氢环丙并[d]吲哚并[2,1-a][2]苯并氮杂卓-5-甲酰胺、2-(4-氟苯基)-N-甲基-6-[(甲基磺酰基)氨基]-5-(异丙氧基)-1-苯并呋喃-3-甲酰胺、RNA指导的RNA聚合酶（RNA-directed RNA polymerase）…… 作者：Sheriff, S. 存档日期：2013-11-14 发布日期：2014-03-19 最后修改日期：2024-04-03 实验方法：X射线衍射（分辨率2.75 Å）引用文献：《环丙基吲哚并苯并氮杂卓类化合物BMS-791325：一种强效丙型肝炎病毒NS5B聚合酶变构抑制剂的发现及临床前表征》，《药物化学杂志》（J.Med.Chem.），第57卷，2014年

创建时间：

2013-11-14