4J6I

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

4J6I の概要

• エントリーDOI: 10.2210/pdb4j6i/pdb
• 分子名称: 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)
• 機能のキーワード: beta-sparing, sbdd, catalytic subunit gamma, phosphorylation, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P48736
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 111217.60

構造登録者

Murray, J.M.,Rouge, L.,Wu, P. (登録日: 2013-02-11, 公開日: 2013-08-28, 最終更新日: 2024-02-28)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.9 Å)