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

Summary for 6OAC

• Entry DOI: 10.2210/pdb6oac/pdb
• Descriptor: 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)
• Functional Keywords: pik3ca, mtor, phosphoinositide, pip3, pi3k, p110, signaling protein, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 110606.82

Authors

Burke, J.E.,McPhail, J.A. (deposition date: 2019-03-15, release date: 2019-06-26, Last modification date: 2023-10-11)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (3.15 Å)