3NCZ

X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor

Summary for 3NCZ

• Entry DOI: 10.2210/pdb3ncz/pdb
• Related: 3NDM
• Descriptor: Rho-associated protein kinase 1, cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide (3 entities in total)
• Functional Keywords: rho kinase, dimer, phosphorylation, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 193328.28

Authors

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

• Primary citation: Ginn, J.D.,Bosanac, T.,Chen, R.,Cywin, C.,Hickey, E.,Kashem, M.,Kerr, S.,Kugler, S.,Li, X.,Prokopowicz, A.,Schlyer, S.,Smith, J.D.,Turner, M.R.,Wu, F.,Young, E.R.; Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 2, optimization for blood pressure reduction in spontaneously hypertensive rats.; Bioorg.Med.Chem.Lett., 20:5153-5156, 2010; PubMed: 20678931; DOI: 10.1016/j.bmcl.2010.07.014

Experimental method

X-RAY DIFFRACTION (3 Å)