3TL5

Discovery of GDC-0980: a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor for the Treatment of Cancer

Summary for 3TL5

• Entry DOI: 10.2210/pdb3tl5/pdb
• Descriptor: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, (2S)-1-(4-{[2-(2-aminopyrimidin-5-yl)-7-methyl-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}piperazin-1-yl)-2-hydroxypropan-1-one (3 entities in total)
• Functional Keywords: transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P48736
• Total number of polymer chains: 1
• Total formula weight: 111225.70

Authors

Murray, J.M.,Wiesmann, C. (deposition date: 2011-08-29, release date: 2011-11-02, Last modification date: 2023-09-13)

• Primary citation: Sutherlin, D.P.,Bao, L.,Berry, M.,Castanedo, G.,Chuckowree, I.,Dotson, J.,Folks, A.,Friedman, L.,Goldsmith, R.,Gunzner, J.,Heffron, T.,Lesnick, J.,Lewis, C.,Mathieu, S.,Murray, J.,Nonomiya, J.,Pang, J.,Pegg, N.,Prior, W.W.,Rouge, L.,Salphati, L.,Sampath, D.,Tian, Q.,Tsui, V.,Wan, N.C.,Wang, S.,Wei, B.,Wiesmann, C.,Wu, P.,Zhu, B.Y.,Olivero, A.; Discovery of a Potent, Selective, and Orally Available Class I Phosphatidylinositol 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Kinase Inhibitor (GDC-0980) for the Treatment of Cancer.; J.Med.Chem., 54:7579-7587, 2011; PubMed: 21981714; DOI: 10.1021/jm2009327

Experimental method

X-RAY DIFFRACTION (2.788 Å)