5HVU

Rho-associated protein kinase 1 (ROCK 1) in complex with a pyridine thiazole piperidine inhibitor

5HVU の概要

• エントリーDOI: 10.2210/pdb5hvu/pdb
• 分子名称: Rho-associated protein kinase 1, 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide (3 entities in total)
• 機能のキーワード: kinase, inhibitor, complex, solubilizing group, 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: 2
• 化学式量合計: 96897.71

構造登録者

Jacobs, M.J. (登録日: 2016-01-28, 公開日: 2017-02-08, 最終更新日: 2023-09-27)

• 主引用文献: Gao, H.,Marhefka, C.,Jacobs, M.D.,Cao, J.,Bandarage, U.K.,Green, J.; ROCK inhibitors 2. Improving potency, selectivity and solubility through the application of rationally designed solubilizing groups.; Bioorg. Med. Chem. Lett., 2018; PubMed: 29945794; DOI: 10.1016/j.bmcl.2018.06.043

実験手法

X-RAY DIFFRACTION (2.8 Å)