5HVU

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

Summary for 5HVU

• Entry DOI: 10.2210/pdb5hvu/pdb
• Descriptor: 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)
• Functional Keywords: kinase, inhibitor, complex, solubilizing group, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 96897.71

Authors

Jacobs, M.J. (deposition date: 2016-01-28, release date: 2017-02-08, Last modification date: 2023-09-27)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.8 Å)