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TitleDiscovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 467-470, Year 2011
Publish dateSep 10, 2010 (structure data deposition date)
AuthorsDwyer, M.P. / Paruch, K. / Labroli, M. / Alvarez, C. / Keertikar, K.M. / Poker, C. / Rossman, R. / Fischmann, T.O. / Duca, J.S. / Madison, V. ...Dwyer, M.P. / Paruch, K. / Labroli, M. / Alvarez, C. / Keertikar, K.M. / Poker, C. / Rossman, R. / Fischmann, T.O. / Duca, J.S. / Madison, V. / Parry, D. / Davis, N. / Seghezzi, W. / Wiswell, D. / Guzi, T.J.
External linksBioorg. Med. Chem. Lett. / PubMed:21094608
MethodsX-ray diffraction
Resolution1.6455 Å
Structure data

PDB-3ot8:
X-ray crystal structure of compound 17r bound to human Chk1 kinase domain
Method: X-RAY DIFFRACTION / Resolution: 1.6455 Å

Chemicals

ChemComp-MI5:
N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

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

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