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
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