7K6O

Crystal structure of PI3Kalpha inhibitor 10-5429

Summary for 7K6O

• Entry DOI: 10.2210/pdb7k6o/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide (3 entities in total)
• Functional Keywords: kinase, signaling protein, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 110444.63

Authors

Chen, P.,Brooun, A.,Deng, Y.L.,Grodsky, N.,Kaiser, S.E. (deposition date: 2020-09-21, release date: 2021-01-06, Last modification date: 2024-04-03)

• Primary citation: Cheng, H.,Orr, S.T.M.,Bailey, S.,Brooun, A.,Chen, P.,Deal, J.G.,Deng, Y.L.,Edwards, M.P.,Gallego, G.M.,Grodsky, N.,Huang, B.,Jalaie, M.,Kaiser, S.,Kania, R.S.,Kephart, S.E.,Lafontaine, J.,Ornelas, M.A.,Pairish, M.,Planken, S.,Shen, H.,Sutton, S.,Zehnder, L.,Almaden, C.D.,Bagrodia, S.,Falk, M.D.,Gukasyan, H.J.,Ho, C.,Kang, X.,Kosa, R.E.,Liu, L.,Spilker, M.E.,Timofeevski, S.,Visswanathan, R.,Wang, Z.,Meng, F.,Ren, S.,Shao, L.,Xu, F.,Kath, J.C.; Structure-Based Drug Design and Synthesis of PI3K alpha-Selective Inhibitor (PF-06843195).; J.Med.Chem., 64:644-661, 2021; PubMed: 33356246; DOI: 10.1021/acs.jmedchem.0c01652

Experimental method

X-RAY DIFFRACTION (2.738 Å)