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TitleIdentification and optimisation of 7-azaindole PAK1 inhibitors with improved potency and kinase selectivity.
Journal, issue, pagesMEDCHEMCOMM, Year 2014
Publish dateApr 1, 2014 (structure data deposition date)
AuthorsMcCoull, W. / Hennessy, E.J. / Blades, K. / Box, M.R. / Chuaqui, C. / Dowling, J.E. / Davies, C.D. / Ferguson, A.D. / Goldberg, F.W. / Howe, N.J. ...McCoull, W. / Hennessy, E.J. / Blades, K. / Box, M.R. / Chuaqui, C. / Dowling, J.E. / Davies, C.D. / Ferguson, A.D. / Goldberg, F.W. / Howe, N.J. / Kemmitt, P.D. / Lamont, G.M. / Madden, K. / McWhirter, C. / Varnes, J.G. / Ward, R.A. / Williams, J.D. / Yang, B.
External linksMEDCHEMCOMM / Search PubMed
MethodsX-ray diffraction
Resolution2.49 Å
Structure data

PDB-4p90:
Crystal structure of the kinase domain of human PAK1 in complex with compound 15
Method: X-RAY DIFFRACTION / Resolution: 2.49 Å

Chemicals

ChemComp-2K0:
[2-chloro-5-(hydroxymethyl)phenyl]{5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl}methanone

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase inhibitor / Inhibitor / kinase / Transferase-Transferase inhibitor complex

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