8J5W

The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide

8J5W の概要

• エントリーDOI: 10.2210/pdb8j5w/pdb
• 分子名称: High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide (2 entities in total)
• 機能のキーワード: transferase
• 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: 36118.68

構造登録者

Zhang, Z.M.,Wang, Y.J. (登録日: 2023-04-24, 公開日: 2023-09-20, 最終更新日: 2023-10-11)

• 主引用文献: Wang, Z.,Wang, J.,Wang, Y.,Xiang, S.,Zhou, H.,Song, S.,Song, X.,Tu, Z.,Zhou, Y.,Ding, K.,Zhang, Z.M.,Zhang, Z.,Lu, X.; Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations.; J.Med.Chem., 66:12950-12965, 2023; PubMed: 37676745; DOI: 10.1021/acs.jmedchem.3c00899

実験手法

X-RAY DIFFRACTION (2.28041464539 Å)