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TitleSynthesis and evaluation of a series of 4-azaindole-containing p21-activated kinase-1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 3518-3524, Year 2016
Publish dateSep 16, 2017 (structure data deposition date)
AuthorsLee, W. / Crawford, J.J. / Aliagas, I. / Murray, L.J. / Tay, S. / Wang, W. / Heise, C.E. / Hoeflich, K.P. / La, H. / Mathieu, S. ...Lee, W. / Crawford, J.J. / Aliagas, I. / Murray, L.J. / Tay, S. / Wang, W. / Heise, C.E. / Hoeflich, K.P. / La, H. / Mathieu, S. / Mintzer, R. / Ramaswamy, S. / Rouge, L. / Rudolph, J.
External linksBioorg. Med. Chem. Lett. / PubMed:27346791
MethodsX-ray diffraction
Resolution2.285 Å
Structure data

PDB-6b16:
P21-activated kinase 1 in complex with a 4-azaindole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.285 Å

Chemicals

ChemComp-C7Y:
N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-[(1S)-1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / inhibitor / Complex / TRANSFERASE-TRANSFERASE INHIBITOR complex

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