6TNR

PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide

6TNR の概要

• エントリーDOI: 10.2210/pdb6tnr/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide (3 entities in total)
• 機能のキーワード: pi3 kinase structure based design, transferase
• 由来する生物種: Mus musculus (House mouse)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 108329.29

構造登録者

Convery, M.A.,Rowland, P.,Henley, Z.A.,Barton, N.,Down, K. (登録日: 2019-12-10, 公開日: 2020-01-01, 最終更新日: 2024-06-19)

• 主引用文献: Henley, Z.A.,Amour, A.,Barton, N.,Bantscheff, M.,Bergamini, G.,Bertrand, S.M.,Convery, M.,Down, K.,Dumpelfeld, B.,Edwards, C.D.,Grandi, P.,Gore, P.M.,Keeling, S.,Livia, S.,Mallett, D.,Maxwell, A.,Price, M.,Rau, C.,Reinhard, F.B.M.,Rowedder, J.,Rowland, P.,Taylor, J.A.,Thomas, D.A.,Hessel, E.M.,Hamblin, J.N.; Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.; J.Med.Chem., 63:638-655, 2020; PubMed: 31855425; DOI: 10.1021/acs.jmedchem.9b01585

実験手法

X-RAY DIFFRACTION (1.9 Å)