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 Cited by PubMed: 28947940DOI: 10.1021/acsmedchemlett.7b00170 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.015 Å) |
Structure validation
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