Structure of NS3 complexed with a ketoamide inhibitor SCh491762

Structure of NS3 complexed with a ketoamide inhibitor SCh491762 Descriptor: BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ... Authors: Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. Deposit date: 2006-12-20 Release date: 2007-07-31 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007

与酮酰胺抑制剂SCh491762结合的NS3复合物结构
描述符：β-巯基乙醇（BETA-MERCAPTOETHANOL）、丙型肝炎病毒（Hepatitis C Virus, HCV）、丙型肝炎病毒……
作者：Prongay, A.J、Guo, Z、Yao, N、Fischmann, T、Strickland, C、Myers Jr, J、Weber, P.C、Malcolm, B、Beyer, B.M、Ingram, R、Pichardo, J、Hong, Z、Prosise, W.W、Ramanathan, L、Taremi, S.S、Yarosh-Tomaine, T、Zhang, R、Senior, M、Yang, R、Arasappan, A、Bennett, F、Bogen, S.F、Chen, K、Jao, E、Liu, Y、Love, R.G、Saksena, A.K、Venkatraman, S、Girijavallabhan, V、Njoroge, F.G、Madison, V.
入库日期：2006-12-20
发布日期：2007-07-31
最后修改日期：2023-08-30
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.3埃（Å）
引用文献：HCV NS3/4A蛋白酶抑制剂(1R,5S)-N-[3-氨基-1-(环丁基甲基)-2,3-二氧丙基]-3-[2(S)-[[[(1,1-二甲基乙基)氨基]羰基]氨基]-3,3-二甲基-1-氧代丁基]-6,6-二甲基-3-氮杂双环[3.1.0]己烷-2(S)-甲酰胺（Sch 503034）的发现 Ⅱ. 基于结构优化的关键步骤. 《药物化学杂志》（J.Med.Chem.）, 50, 2007