Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6

Crystal structure of human KRAS G12C covalently bound with Taiho WO2020/085493A1 compound 6 Descriptor: 2-{[(5-tert-butyl-6-chloro-1H-indazol-3-yl)amino]methyl}-4-chloro-1-methyl-N-(1-propanoylazetidin-3-yl)-1H-imidazole-5-carboxamide, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... Authors: Mohr, C. Deposit date: 2022-07-11 Release date: 2022-08-17 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.23 Å) Cite: Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors. J.Comput.Aided Mol.Des., 36, 2022人源KRAS G12C与Taiho公司WO2020/085493A1专利化合物6共价结合的晶体结构 描述符：2-{[(5-叔丁基-6-氯-1H-吲唑-3-基)氨基]甲基}-4-氯-1-甲基-N-(1-丙酰基氮杂环丁烷-3-基)-1H-咪唑-5-甲酰胺、鸟苷-5'-二磷酸（GUANOSINE-5'-DIPHOSPHATE）、GTP酶KRas的2B亚型，…… 作者：Mohr, C. 沉积日期：2022-07-11 发布日期：2022-08-17 最后修改日期：2024-11-13 实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.23埃（Å） 引用文献：《KRAS G12C抑制剂基于结构设计中的受体柔性建模》，J.Comput.Aided Mol.Des., 36, 2022