6TFP

BTK in complex with LOU064, a potent and highly selective covalent inhibitor

6TFP の概要

• エントリーDOI: 10.2210/pdb6tfp/pdb
• 分子名称: Tyrosine-protein kinase BTK, SODIUM ION, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide, ... (4 entities in total)
• 機能のキーワード: btk, complex, inhibitor, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 162652.30

構造登録者

Scheufler, C.,Hinniger, A.,Gutmann, S. (登録日: 2019-11-14, 公開日: 2020-03-04, 最終更新日: 2024-05-01)

• 主引用文献: Angst, D.,Gessier, F.,Janser, P.,Vulpetti, A.,Walchli, R.,Beerli, C.,Littlewood-Evans, A.,Dawson, J.,Nuesslein-Hildesheim, B.,Wieczorek, G.,Gutmann, S.,Scheufler, C.,Hinniger, A.,Zimmerlin, A.,Funhoff, E.G.,Pulz, R.,Cenni, B.; Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.; J.Med.Chem., 63:5102-5118, 2020; PubMed: 32083858; DOI: 10.1021/acs.jmedchem.9b01916

実験手法

X-RAY DIFFRACTION (2 Å)