2qhm
From Proteopedia
crystal structure of Chek1 in complex with inhibitor 2a
Overview
The development of 2,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-ones as inhibitors of Chk1 kinase is described. Introduction of a fused ring at the C7/C8 positions of the pyrazoloquinolinone provided an increase in potency while guidance from overlapping inhibitor bound Chk1 X-ray crystal structures contributed to the discovery of a potent and solubilizing propyl amine moiety in compound 52 (Chk1 IC(50)=3.1 nM).
About this Structure
2QHM is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors., Brnardic EJ, Garbaccio RM, Fraley ME, Tasber ES, Steen JT, Arrington KL, Dudkin VY, Hartman GD, Stirdivant SM, Drakas BA, Rickert K, Walsh ES, Hamilton K, Buser CA, Hardwick J, Tao W, Beck SC, Mao X, Lobell RB, Sepp-Lorenzino L, Yan Y, Ikuta M, Munshi SK, Kuo LC, Kreatsoulas C, Bioorg Med Chem Lett. 2007 Nov 1;17(21):5989-94. Epub 2007 Aug 19. PMID:17804227 Page seeded by OCA on Sun May 4 14:58:41 2008
