3NDM

Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative

Summary for 3NDM

• Entry DOI: 10.2210/pdb3ndm/pdb
• Related: 3NCZ
• Descriptor: Rho-Associated Protein Kinase (ROCK1), (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide (3 entities in total)
• Functional Keywords: rho kinase, phosphorylation, dimerization, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: Q13464
• Total number of polymer chains: 4
• Total formula weight: 193255.96

Authors

Li, X. (deposition date: 2010-06-07, release date: 2010-12-08, Last modification date: 2024-02-21)

• Primary citation: Bosanac, T.,Hickey, E.R.,Ginn, J.,Kashem, M.,Kerr, S.,Kugler, S.,Li, X.,Olague, A.,Schlyer, S.,Young, E.R.; Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.; Bioorg.Med.Chem.Lett., 20:3746-3749, 2010; PubMed: 20471253; DOI: 10.1016/j.bmcl.2010.04.069

Experimental method

X-RAY DIFFRACTION (3.3 Å)