3cg2
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Revision as of 11:26, 9 April 2008
P38 Alpha Kinase complexed with a Pyrazolo-Pyrimidine based inhibitor
Overview
The synthesis and structure-activity relationships (SAR) of p38alpha MAP kinase inhibitors based on a pyrazolo-pyrimidine scaffold are described. These studies led to the identification of compound 2x as a potent and selective inhibitor of p38alpha MAP kinase with excellent cellular potency toward the inhibition of TNFalpha production. Compound 2x was highly efficacious in vivo in inhibiting TNFalpha production in an acute murine model of TNFalpha production. X-ray co-crystallography of a pyrazolo-pyrimidine analog 2b bound to unphosphorylated p38alpha is also disclosed.
About this Structure
3CG2 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Pyrazolo-pyrimidines: A novel heterocyclic scaffold for potent and selective p38alpha inhibitors., Das J, Moquin RV, Pitt S, Zhang R, Shen DR, McIntyre KW, Gillooly K, Doweyko AM, Sack JS, Zhang H, Kiefer SE, Kish K, McKinnon M, Barrish JC, Dodd JH, Schieven GL, Leftheris K, Bioorg Med Chem Lett. 2008 Mar 10;. PMID:18359226
