3c5u
From Proteopedia
P38 ALPHA map kinase complexed with a benzothiazole based inhibitor
Overview
Rational design, synthesis, and SAR studies of a novel class of benzothiazole based inhibitors of p38alpha MAP kinase are described. The issue of metabolic instability associated with vicinal phenyl, benzo[d]thiazol-6-yl oxazoles/imidazoles was addressed by the replacement of the central oxazole or imidazole ring with an aminopyrazole system. The proposed binding mode of this new class of p38alpha inhibitors was confirmed by X-ray crystallographic studies of a representative inhibitor (6a) bound to the p38alpha enzyme.
About this Structure
3C5U is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Benzothiazole based inhibitors of p38alpha MAP kinase., Liu C, Lin J, Pitt S, Zhang RF, Sack JS, Kiefer SE, Kish K, Doweyko AM, Zhang H, Marathe PH, Trzaskos J, Mckinnon M, Dodd JH, Barrish JC, Schieven GL, Leftheris K, Bioorg Med Chem Lett. 2008 Mar 15;18(6):1874-9. Epub 2008 Feb 10. PMID:18296051 Page seeded by OCA on Wed May 7 08:59:55 2008
