7POS

PI3 kinase delta in complex with 5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-(5-{3-[4-(propan-2-yl)piperazin-1-yl]prop-1-yn-1-yl}pyridin-3-yl)pyridine-3-sulfonamide

7POS の概要

• エントリーDOI: 10.2210/pdb7pos/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide (3 entities in total)
• 機能のキーワード: pi3 kinase delta, signaling protein
• 由来する生物種: Mus musculus (Mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 108335.30

構造登録者

Rowland, P.,Convery, M. (登録日: 2021-09-09, 公開日: 2021-09-29, 最終更新日: 2021-10-06)

• 主引用文献: Down, K.,Amour, A.,Anderson, N.A.,Barton, N.,Campos, S.,Cannons, E.P.,Clissold, C.,Convery, M.A.,Coward, J.J.,Doyle, K.,Duempelfeld, B.,Edwards, C.D.,Goldsmith, M.D.,Krause, J.,Mallett, D.N.,McGonagle, G.A.,Patel, V.K.,Rowedder, J.,Rowland, P.,Sharpe, A.,Sriskantharajah, S.,Thomas, D.A.,Thomson, D.W.,Uddin, S.,Hamblin, J.N.,Hessel, E.M.; Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode.; J.Med.Chem., 64:13780-13792, 2021; PubMed: 34510892; DOI: 10.1021/acs.jmedchem.1c01102

実験手法

X-RAY DIFFRACTION (2.493 Å)