3BX5

P38 alpha map kinase complexed with BMS-640994

Summary for 3BX5

• Entry DOI: 10.2210/pdb3bx5/pdb
• Descriptor: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide (3 entities in total)
• Functional Keywords: serine/threonine-protein kinase, kinase, transferase, p38 map kinase, signaling protein
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm (By similarity): Q16539
• Total number of polymer chains: 1
• Total formula weight: 42451.45

Authors

Sack, J.S. (deposition date: 2008-01-11, release date: 2008-04-15, Last modification date: 2024-02-21)

Primary citation

Hynes, J.,Wu, H.,Pitt, S.,Shen, D.R.,Zhang, R.,Schieven, G.L.,Gillooly, K.M.,Shuster, D.J.,Taylor, T.L.,Yang, X.,McIntyre, K.W.,McKinnon, M.,Zhang, H.,Marathe, P.H.,Doweyko, A.M.,Kish, K.,Kiefer, S.E.,Sack, J.S.,Newitt, J.A.,Barrish, J.C.,Dodd, J.,Leftheris, K.
The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18:1762-1767, 2008

PubMed Abstract: A novel structural class of p38alpha MAP kinase inhibitors has been identified via iterative SAR studies of a focused deck screen hit. Optimization of the lead series generated 6e, BMS-640994, a potent and selective p38alpha inhibitor that is orally efficacious in rodent models of acute and chronic inflammation.

PubMed: 18313298
DOI: 10.1016/j.bmcl.2008.02.031

Experimental method

X-RAY DIFFRACTION (2.4 Å)