8UCB

IRAK4 in complex with compound 8

8UCB の概要

• エントリーDOI: 10.2210/pdb8ucb/pdb
• 分子名称: Interleukin-1 receptor-associated kinase 4, 6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (3 entities in total)
• 機能のキーワード: kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 140297.44

構造登録者

Metrick, C.M.,Chodaparambil, J.V. (登録日: 2023-09-26, 公開日: 2024-06-26)

• 主引用文献: Evans, R.,Bolduc, P.N.,Pfaffenbach, M.,Gao, F.,May-Dracka, T.,Fang, T.,Hopkins, B.T.,Chodaparambil, J.V.,Henry, K.L.,Li, P.,Metrick, C.,Nelson, A.,Trapa, P.,Thomas, A.,Burkly, L.,Peterson, E.A.; The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke.; J.Med.Chem., 67:4676-4690, 2024; PubMed: 38467640; DOI: 10.1021/acs.jmedchem.3c02226

実験手法

X-RAY DIFFRACTION (1.85 Å)