7JNT

CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR

Summary for 7JNT

• Entry DOI: 10.2210/pdb7jnt/pdb
• Descriptor: Rho-associated protein kinase 2, N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (5 entities in total)
• Functional Keywords: rock 2, kinase, transferase, transferase-transferase inhibit complex, transferase-transferase inhibitor complex
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 8
• Total formula weight: 369656.13

Authors

Muckelbauer, J.K. (deposition date: 2020-08-05, release date: 2020-09-02, Last modification date: 2024-03-06)

• Primary citation: Hu, Z.,Wang, C.,Sitkoff, D.,Cheadle, N.L.,Xu, S.,Muckelbauer, J.K.,Adam, L.P.,Wexler, R.R.,Quan, M.L.; Identification of 5H-chromeno[3,4-c]pyridine and 6H-isochromeno[3,4-c]pyridine derivatives as potent and selective dual ROCK inhibitors.; Bioorg.Med.Chem.Lett., 30:127474-127474, 2020; PubMed: 32805407; DOI: 10.1016/j.bmcl.2020.127474

Experimental method

X-RAY DIFFRACTION (2.214 Å)