3S4Q

P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor

Summary for 3S4Q

• Entry DOI: 10.2210/pdb3s4q/pdb
• Descriptor: Mitogen-activated protein kinase 14, 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide (3 entities in total)
• Functional Keywords: p38 map kinase, serine/threonine-protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm (By similarity): Q16539
• Total number of polymer chains: 1
• Total formula weight: 42530.49

Authors

Sack, J.S. (deposition date: 2011-05-20, release date: 2012-02-01, Last modification date: 2024-02-28)

Primary citation

Dyckman, A.J.,Li, T.,Pitt, S.,Zhang, R.,Shen, D.R.,McIntyre, K.W.,Gillooly, K.M.,Shuster, D.J.,Doweyko, A.M.,Sack, J.S.,Kish, K.,Kiefer, S.E.,Newitt, J.A.,Zhang, H.,Marathe, P.H.,McKinnon, M.,Barrish, J.C.,Dodd, J.H.,Schieven, G.L.,Leftheris, K.
Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21:4633-4637, 2011

PubMed Abstract: Pyrrolo[2,1-f][1,2,4]triazine based inhibitors of p38α have been prepared exploring functional group modifications at the C6 position. Incorporation of aryl and heteroaryl ketones at this position led to potent inhibitors with efficacy in in vivo models of acute and chronic inflammation.

PubMed: 21705217
DOI: 10.1016/j.bmcl.2011.05.091

Experimental method

X-RAY DIFFRACTION (2.27 Å)