2QD9

P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds

2QD9 の概要

• エントリーDOI: 10.2210/pdb2qd9/pdb
• 分子名称: Mitogen-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)
• 機能のキーワード: serine/threonine-protein kinase, kinase, transferase, p38 map kinase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 42655.52

構造登録者

Sack, J.S. (登録日: 2007-06-20, 公開日: 2007-08-21, 最終更新日: 2024-02-21)

主引用文献

Murali 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

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

実験手法

X-RAY DIFFRACTION (1.7 Å)