5DXH
p110alpha/p85alpha with compound 5
Summary for 5DXH
Entry DOI | 10.2210/pdb5dxh/pdb |
Related | 5DXT 5DXU |
Descriptor | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate (3 entities in total) |
Functional Keywords | lipid kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 4 |
Total formula weight | 291292.53 |
Authors | Heffron, T.P.,Heald, R.A.,Ndubaku, C.,Wei, B.Q.,Augustin, M.,Do, S.,Edgar, K.,Eigenbrot, C.,Friedman, L.,Gancia, E.,Jackson, P.S.,Jones, G.,Kolesnikov, A.,Lee, L.B.,Lesnick, J.D.,Lewis, C.,McLean, N.,Mortle, M.,Nonomiya, J.,Pang, J.,Price, S.,Prior, W.W.,Salphati, L.,Sideris, S.,Staben, S.,Steinbacher, S.,Tsui, V.,Wallin, J.,Sampath, D.,Olivero, A. (deposition date: 2015-09-23, release date: 2016-01-27, Last modification date: 2024-03-06) |
Primary citation | Heffron, T.P.,Heald, R.A.,Ndubaku, C.,Wei, B.,Augistin, M.,Do, S.,Edgar, K.,Eigenbrot, C.,Friedman, L.,Gancia, E.,Jackson, P.S.,Jones, G.,Kolesnikov, A.,Lee, L.B.,Lesnick, J.D.,Lewis, C.,McLean, N.,Mortl, M.,Nonomiya, J.,Pang, J.,Price, S.,Prior, W.W.,Salphati, L.,Sideris, S.,Staben, S.T.,Steinbacher, S.,Tsui, V.,Wallin, J.,Sampath, D.,Olivero, A.G. The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59:985-1002, 2016 Cited by PubMed: 26741947DOI: 10.1021/acs.jmedchem.5b01483 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3 Å) |
Structure validation
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