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TitleDiscovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 2.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 471-474, Year 2011
Publish dateSep 10, 2010 (structure data deposition date)
AuthorsLabroli, M. / Paruch, K. / Dwyer, M.P. / Alvarez, C. / Keertikar, K. / Poker, C. / Rossman, R. / Duca, J.S. / Fischmann, T.O. / Madison, V. ...Labroli, M. / Paruch, K. / Dwyer, M.P. / Alvarez, C. / Keertikar, K. / Poker, C. / Rossman, R. / Duca, J.S. / Fischmann, T.O. / Madison, V. / Parry, D. / Davis, N. / Seghezzi, W. / Wiswell, D. / Guzi, T.J.
External linksBioorg. Med. Chem. Lett. / PubMed:21094607
MethodsX-ray diffraction
Resolution1.44 Å
Structure data

PDB-3ot3:
X-ray crystal structure of compound 22k bound to human Chk1 kinase domain
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

Chemicals

ChemComp-22K:
5-[(1R,3S)-3-aminocyclohexyl]-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase / phosphatase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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