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TitleSubstituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 3746-3749, Year 2010
Publish dateJun 7, 2010 (structure data deposition date)
AuthorsBosanac, T. / Hickey, E.R. / Ginn, J. / Kashem, M. / Kerr, S. / Kugler, S. / Li, X. / Olague, A. / Schlyer, S. / Young, E.R.
External linksBioorg. Med. Chem. Lett. / PubMed:20471253
MethodsX-ray diffraction
Resolution3.3 Å
Structure data

PDB-3ndm:
Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

ChemComp-3ND:
(3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Rho kinase / phosphorylation / dimerization / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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