3ZIM

Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Kalpha

3ZIM の概要

• エントリーDOI: 10.2210/pdb3zim/pdb
• 分子名称: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT ALPHA ISOFORM, 1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methyl-hept-5-ene-1,4- dione (3 entities in total)
• 機能のキーワード: transferase
• 由来する生物種: HOMO SAPIENS (HUMAN)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 109980.19

構造登録者

Nacht, M.,Qiao, L.,Sheets, M.P.,Martin, T.S.,Labenski, M.,Mazdiyasni, H.,Karp, R.,Zhu, Z.,Chaturvedi, P.,Bhavsar, D.,Niu, D.,Westlin, W.,Petter, R.C.,Medikonda, A.P.,Jestel, A.,Blaesse, M.,Singh, J. (登録日: 2013-01-09, 公開日: 2013-02-13, 最終更新日: 2024-05-01)

• 主引用文献: Nacht, M.,Qiao, L.,Sheets, M.P.,Martin, T.S.,Labenski, M.,Mazdiyasni, H.,Karp, R.,Zhu, Z.,Chaturvedi, P.,Bhavsar, D.,Niu, D.,Westlin, W.,Petter, R.C.,Medikonda, A.P.,Singh, J.; Discovery of a Potent and Isoform-Selective Targeted Covalent Inhibitor of the Lipid Kinase Pi3Kalpha; J.Med.Chem., 56:712-, 2013; PubMed: 23360348; DOI: 10.1021/JM3008745

実験手法

X-RAY DIFFRACTION (2.85 Å)