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 Cited by PubMed: 31244112DOI: 10.1021/acs.jmedchem.9b00525 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.15 Å) |
Structure validation
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