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TitleOptimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 5989-5994, Year 2007
Publish dateJul 2, 2007 (structure data deposition date)
AuthorsBrnardic, E.J. / Garbaccio, R.M. / Fraley, M.E. / Tasber, E.S. / Steen, J.T. / Arrington, K.L. / Dudkin, V.Y. / Hartman, G.D. / Stirdivant, S.M. / Drakas, B.A. ...Brnardic, E.J. / Garbaccio, R.M. / Fraley, M.E. / Tasber, E.S. / Steen, J.T. / Arrington, K.L. / Dudkin, V.Y. / Hartman, G.D. / Stirdivant, S.M. / Drakas, B.A. / Rickert, K. / Walsh, E.S. / Hamilton, K. / Buser, C.A. / Hardwick, J. / Tao, W. / Beck, S.C. / Mao, X. / Lobell, R.B. / Sepp-Lorenzino, L. / Yan, Y. / Ikuta, M. / Munshi, S.K. / Kuo, L.C. / Kreatsoulas, C.
External linksBioorg. Med. Chem. Lett. / PubMed:17804227
MethodsX-ray diffraction
Resolution1.7 - 2 Å
Structure data

PDB-2qhm:
crystal structure of Chek1 in complex with inhibitor 2a
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-2qhn:
Crystal Structure of Chek1 in Complex with Inhibitor 1a
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-7CS:
(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE

ChemComp-HOH:
WATER

ChemComp-582:
5-ETHYL-3-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[4,3-C]QUINOLIN-4-ONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Chek1 / Kinase / cell cycle checkpoint

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