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TitleIdentification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 9819-9845, Year 2022
Publish dateJul 16, 2021 (structure data deposition date)
AuthorsLadduwahetty, T. / Lee, M.R. / Maillard, M.C. / Cachope, R. / Todd, D. / Barnes, M. / Beaumont, V. / Chauhan, A. / Gallati, C. / Haughan, A.F. ...Ladduwahetty, T. / Lee, M.R. / Maillard, M.C. / Cachope, R. / Todd, D. / Barnes, M. / Beaumont, V. / Chauhan, A. / Gallati, C. / Haughan, A.F. / Kempf, G. / Luckhurst, C.A. / Matthews, K. / McAllister, G. / Mitchell, P. / Patel, H. / Rose, M. / Saville-Stones, E. / Steinbacher, S. / Stott, A.J. / Thatcher, E. / Tierney, J. / Urbonas, L. / Munoz-Sanjuan, I. / Dominguez, C.
External linksJ. Med. Chem. / PubMed:35816678
MethodsX-ray diffraction
Resolution3 Å
Structure data

PDB-7p6n:
ROCK2 IN COMPLEX WITH COMPOUND 12
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-5YS:
~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Rho-associated protein kinase 2 / inhibitor complex

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