Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile

Crystal structure of C-MET kinase domain in complex with 4-(3-((1H- pyrrolo(2,3-b)pyridin-3-yl)methyl)-(1,2,4)triazolo(4,3-b)(1,2,4) triazin-6-yl)benzonitrile Descriptor: 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile, HEPATOCYTE GROWTH FACTOR RECEPTOR Authors: McTigue, M, Grodsky, N, Ryan, K, Cui, J.J. Deposit date: 2012-03-27 Release date: 2012-09-26 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of a Novel Class of Exquisitely Selective Mesenchymal-Epithelial Transition Factor (C-met) Protein Kinase Inhibitors and Identification of the Clinical Candidate 2-(4-(1-(Quinolin-6-Ylmethyl)-1H-[1,2, 3]Triazolo[4,5-B]Pyrazin-6-Yl)-1H-Pyrazol-1-Yl)Ethanol (Pf-04217903) for the Treatment of Cancer. J.Med.Chem., 55, 2012

本数据集为与4-(3-((1H-吡咯并[2,3-b]吡啶-3-基)甲基)-[1,2,4]三唑并[4,3-b][1,2,4]三嗪-6-基)苯甲腈结合的C-MET激酶结构域（C-MET kinase domain）晶体结构。
配体描述符：4-[3-(1H-吡咯并[2,3-b]吡啶-3-基甲基)-[1,2,4]三唑并[4,3-b][1,2,4]三嗪-6-基]苯甲腈，肝细胞生长因子受体（HEPATOCYTE GROWTH FACTOR RECEPTOR）。
作者：McTigue, M、Grodsky, N、Ryan, K、Cui, J.J.
存放日期：2012-03-27
发布日期：2012-09-26
最后修改日期：2023-12-20
解析方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.9埃）
引用文献：发现一类全新的高选择性间质-上皮转化因子（C-Met）蛋白激酶抑制剂，并鉴定用于癌症治疗的临床候选化合物2-(4-(1-(喹啉-6-基甲基)-1H-[1,2,3]三唑并[4,5-b]吡嗪-6-基)-1H-吡唑-1-基)乙醇（Pf-04217903），《Journal of Medicinal Chemistry》（简称J.Med.Chem.），2012年，第55卷。