7XAF

The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide

7XAF の概要

• エントリーDOI: 10.2210/pdb7xaf/pdb
• 分子名称: High affinity nerve growth factor receptor, 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide (2 entities in total)
• 機能のキーワード: trka, transferase inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase 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: 34577.83

構造登録者

Zhang, Z.M.,Wang, Y.J. (登録日: 2022-03-17, 公開日: 2022-06-01, 最終更新日: 2023-11-29)

• 主引用文献: Wang, Z.,Wang, J.,Wang, Y.,Xiang, S.,Song, X.,Tu, Z.,Zhou, Y.,Zhang, Z.M.,Zhang, Z.,Ding, K.,Lu, X.; Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.; J.Med.Chem., 65:6325-6337, 2022; PubMed: 35426680; DOI: 10.1021/acs.jmedchem.2c00308

実験手法

X-RAY DIFFRACTION (3.00118200625 Å)