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TitleDiscovery of a phenylpyrazole amide ROCK inhibitor as a tool molecule for in vivo studies.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127495-127495, Year 2020
Publish dateAug 7, 2020 (structure data deposition date)
AuthorsHu, Z. / Wang, C. / Glunz, P.W. / Li, J. / Cheadle, N.L. / Chen, A.Y. / Chen, X.Q. / Myers, J.E. / Guarino, V.R. / Rose, A. ...Hu, Z. / Wang, C. / Glunz, P.W. / Li, J. / Cheadle, N.L. / Chen, A.Y. / Chen, X.Q. / Myers, J.E. / Guarino, V.R. / Rose, A. / Sack, J.S. / Sitkoff, D. / Taylor, D.S. / Xu, S. / Yan, C. / Zhang, H. / Zhang, L. / Hennan, J. / Adam, L.P. / Wexler, R.R. / Quan, M.L.
External linksBioorg. Med. Chem. Lett. / PubMed:32798651
MethodsX-ray diffraction
Resolution2.586 - 3.318 Å
Structure data

PDB-7jou:
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 3.318 Å

PDB-7jov:
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.586 Å

Chemicals

ChemComp-VFS:
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide

ChemComp-HOH:
WATER

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-CL:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / ROCK1 / KINASE / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX

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