4YTH

Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases

4YTH の概要

• エントリーDOI: 10.2210/pdb4yth/pdb
• 関連するPDBエントリー: 4YTC 4YTF 4YTI
• 分子名称: Tyrosine-protein kinase JAK2, N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide (3 entities in total)
• 機能のキーワード: jak3 kinase, jak2 kinase, inhibitor, autoimmune, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Endomembrane system ; Peripheral membrane protein : O60674
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35324.51

構造登録者

Ledeboer, M.W.,Zuccola, H.J. (登録日: 2015-03-17, 公開日: 2015-08-12, 最終更新日: 2016-07-20)

• 主引用文献: Farmer, L.J.,Ledeboer, M.W.,Hoock, T.,Arnost, M.J.,Bethiel, R.S.,Bennani, Y.L.,Black, J.J.,Brummel, C.L.,Chakilam, A.,Dorsch, W.A.,Fan, B.,Cochran, J.E.,Halas, S.,Harrington, E.M.,Hogan, J.K.,Howe, D.,Huang, H.,Jacobs, D.H.,Laitinen, L.M.,Liao, S.,Mahajan, S.,Marone, V.,Martinez-Botella, G.,McCarthy, P.,Messersmith, D.,Namchuk, M.,Oh, L.,Penney, M.S.,Pierce, A.C.,Raybuck, S.A.,Rugg, A.,Salituro, F.G.,Saxena, K.,Shannon, D.,Shlyakter, D.,Swenson, L.,Tian, S.K.,Town, C.,Wang, J.,Wang, T.,Wannamaker, M.W.,Winquist, R.J.,Zuccola, H.J.; Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.; J.Med.Chem., 58:7195-7216, 2015; PubMed: 26230873; DOI: 10.1021/acs.jmedchem.5b00301

実験手法

X-RAY DIFFRACTION (2.04 Å)