3BV2

Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30

Summary for 3BV2

• Entry DOI: 10.2210/pdb3bv2/pdb
• Related: 3BV3
• Descriptor: Mitogen-activated protein kinase 14, 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide (3 entities in total)
• Functional Keywords: serine/threonine-protein kinase, kinase, transferase, p38 map kinase, alternative splicing, atp-binding, cytoplasm, nucleotide-binding, nucleus, phosphoprotein
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm (By similarity): Q16539
• Total number of polymer chains: 1
• Total formula weight: 42693.66

Authors

Sack, J.S. (deposition date: 2008-01-04, release date: 2008-04-08, Last modification date: 2024-02-21)

Primary citation

Wrobleski, S.T.,Lin, S.,Hynes, J.,Wu, H.,Pitt, S.,Shen, D.R.,Zhang, R.,Gillooly, K.M.,Shuster, D.J.,McIntyre, K.W.,Doweyko, A.M.,Kish, K.F.,Tredup, J.A.,Duke, G.J.,Sack, J.S.,McKinnon, M.,Dodd, J.,Barrish, J.C.,Schieven, G.L.,Leftheris, K.
Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18:2739-2744, 2008

PubMed Abstract: A novel series of compounds based on the pyrrolo[2,1-f][1,2,4]triazine ring system have been identified as potent p38 alpha MAP kinase inhibitors. The synthesis, structure-activity relationships (SAR), and in vivo activity of selected analogs from this class of inhibitors are reported. Additional studies based on X-ray co-crystallography have revealed that one of the potent inhibitors from this series binds to the DFG-out conformation of the p38 alpha enzyme.

PubMed: 18364256
DOI: 10.1016/j.bmcl.2008.02.067

Experimental method

X-RAY DIFFRACTION (2.4 Å)