6AUD

PI3K-gamma K802T in complex with Cpd 8 10-((1-(tert-butyl)piperidin-4-yl)sulfinyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Summary for 6AUD

• Entry DOI: 10.2210/pdb6aud/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (3 entities in total)
• Functional Keywords: p110 delta, sbdd, transferase-transferase inhbitor complex, transferase/transferase inhbitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : P48736
• Total number of polymer chains: 1
• Total formula weight: 111181.66

Authors

Murray, J.M.,Ultsch, M. (deposition date: 2017-08-31, release date: 2017-11-15, Last modification date: 2023-10-04)

• Primary citation: Safina, B.S.,Elliott, R.L.,Forrest, A.K.,Heald, R.A.,Murray, J.M.,Nonomiya, J.,Pang, J.,Salphati, L.,Seward, E.M.,Staben, S.T.,Ultsch, M.,Wei, B.,Yang, W.,Sutherlin, D.P.; Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.; ACS Med Chem Lett, 8:936-940, 2017; PubMed: 28947940; DOI: 10.1021/acsmedchemlett.7b00170

Experimental method

X-RAY DIFFRACTION (2.015 Å)