4HLE
Compound 21 (1-alkyl-substituted 1,2,4-triazoles)
Summary for 4HLE
Entry DOI | 10.2210/pdb4hle/pdb |
Descriptor | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepine-8-carboxamide (2 entities in total) |
Functional Keywords | lipid kinase, kinase, 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 | 111081.53 |
Authors | Murray, J.M.,Rouge, L.,Wu, P. (deposition date: 2012-10-16, release date: 2013-01-09, Last modification date: 2024-02-28) |
Primary citation | Staben, S.T.,Blaquiere, N.,Tsui, V.,Kolesnikov, A.,Do, S.,Bradley, E.K.,Dotson, J.,Goldsmith, R.,Heffron, T.P.,Lesnick, J.,Lewis, C.,Murray, J.,Nonomiya, J.,Olivero, A.G.,Pang, J.,Rouge, L.,Salphati, L.,Wei, B.,Wiesmann, C.,Wu, P. Cis-Amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase. Bioorg.Med.Chem.Lett., 23:897-901, 2013 Cited by PubMed: 23265894DOI: 10.1016/j.bmcl.2012.10.121 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.78 Å) |
Structure validation
Download full validation report