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2QD9

P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds

Summary for 2QD9
Entry DOI10.2210/pdb2qd9/pdb
DescriptorMitogen-activated protein kinase 14, 1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione (3 entities in total)
Functional Keywordsserine/threonine-protein kinase, kinase, transferase, p38 map kinase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total formula weight42655.52
Authors
Sack, J.S. (deposition date: 2007-06-20, release date: 2007-08-21, Last modification date: 2024-02-21)
Primary citationMurali Dhar, T.G.,Wrobleski, S.T.,Lin, S.,Furch, J.A.,Nirschl, D.S.,Fan, Y.,Todderud, G.,Pitt, S.,Doweyko, A.M.,Sack, J.S.,Mathur, A.,McKinnon, M.,Barrish, J.C.,Dodd, J.H.,Schieven, G.L.,Leftheris, K.
Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.
Bioorg.Med.Chem.Lett., 17:5019-5024, 2007
Cited by
PubMed Abstract: The synthesis and structure-activity relationships (SAR) of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds are described. This effort led to the identification of compound (21) as a potent inhibitor of p38alpha MAP kinase with good cellular potency toward the inhibition of TNF-alpha production. X-ray co-crystallography of an oxalamide analog (24) bound to unphosphorylated p38alpha is also disclosed.
PubMed: 17664068
DOI: 10.1016/j.bmcl.2007.07.029
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.7 Å)
Structure validation

238895

數據於2025-07-16公開中

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