4J6I

Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform

Summary for 4J6I

• Entry DOI: 10.2210/pdb4j6i/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol (2 entities in total)
• Functional Keywords: beta-sparing, sbdd, catalytic subunit gamma, phosphorylation, 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: 111217.60

Authors

Murray, J.M.,Rouge, L.,Wu, P. (deposition date: 2013-02-11, release date: 2013-08-28, Last modification date: 2024-02-28)

• Primary citation: Staben, S.T.,Ndubaku, C.,Blaquiere, N.,Belvin, M.,Bull, R.J.,Dudley, D.,Edgar, K.,Gray, D.,Heald, R.,Heffron, T.P.,Jones, G.E.,Jones, M.,Kolesnikov, A.,Lee, L.,Lesnick, J.,Lewis, C.,Murray, J.,McLean, N.J.,Nonomiya, J.,Olivero, A.G.,Ord, R.,Pang, J.,Price, S.,Prior, W.W.,Rouge, L.,Salphati, L.,Sampath, D.,Wallin, J.,Wang, L.,Wei, B.,Weismann, C.,Wu, P.; Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform.; Bioorg.Med.Chem.Lett., 23:2606-2613, 2013; PubMed: 23540645; DOI: 10.1016/j.bmcl.2013.02.102

Experimental method

X-RAY DIFFRACTION (2.9 Å)