4AOI

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

4AOI の概要

• エントリーDOI: 10.2210/pdb4aoi/pdb
• 関連するPDBエントリー: 1FYR 1R0P 1R1W 1SHY 1SSL 1UX3 2CEW 2G15 2UZX 2UZY 2WD1 2WGJ 2WKM 3ZXZ 3ZZE 4AP7
• 分子名称: HEPATOCYTE GROWTH FACTOR RECEPTOR, 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile (3 entities in total)
• 機能のキーワード: transferase, kinase inhibitor
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35231.77

構造登録者

McTigue, M.,Grodsky, N.,Ryan, K.,Cui, J.J. (登録日: 2012-03-27, 公開日: 2012-09-26, 最終更新日: 2023-12-20)

• 主引用文献: Cui, J.J.,Mctigue, M.,Nambu, M.,Tran-Dube, M.,Pairish, M.,Shen, H.,Jia, L.,Cheng, H.,Hoffman, J.,Le, P.,Jalaie, M.,Goetz, G.H.,Ryan, K.,Grodsky, N.,Deng, Y.,Parker, M.,Timofeevski, S.,Murray, B.W.,Yamazaki, S.,Aguirre, S.,Li, Q.,Zou, H.,Christensen, J.; 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., 55:8091-, 2012; PubMed: 22924734; DOI: 10.1021/JM300967G

実験手法

X-RAY DIFFRACTION (1.9 Å)