6OAC

PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha

6OAC の概要

• エントリーDOI: 10.2210/pdb6oac/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine (2 entities in total)
• 機能のキーワード: pik3ca, mtor, phosphoinositide, pip3, pi3k, p110, signaling protein, transferase
• 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: 110606.82

構造登録者

Burke, J.E.,McPhail, J.A. (登録日: 2019-03-15, 公開日: 2019-06-26, 最終更新日: 2023-10-11)

• 主引用文献: Rageot, D.,Bohnacker, T.,Keles, E.,McPhail, J.A.,Hoffmann, R.M.,Melone, A.,Borsari, C.,Sriramaratnam, R.,Sele, A.M.,Beaufils, F.,Hebeisen, P.,Fabbro, D.,Hillmann, P.,Burke, J.E.,Wymann, M.P.; (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.; J.Med.Chem., 62:6241-6261, 2019; PubMed: 31244112; DOI: 10.1021/acs.jmedchem.9b00525

実験手法

X-RAY DIFFRACTION (3.15 Å)