5FBO

BTK-inhibitor co-structure

5FBO の概要

• エントリーDOI: 10.2210/pdb5fbo/pdb
• 関連するPDBエントリー: 5FBN
• 分子名称: Tyrosine-protein kinase BTK, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, ... (4 entities in total)
• 機能のキーワード: kinase, phosphatase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q06187
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32698.49

構造登録者

Fischmann, T.O. (登録日: 2015-12-14, 公開日: 2016-03-23, 最終更新日: 2024-03-06)

• 主引用文献: Liu, J.,Guiadeen, D.,Krikorian, A.,Gao, X.,Wang, J.,Boga, S.B.,Alhassan, A.B.,Yu, Y.,Vaccaro, H.,Liu, S.,Yang, C.,Wu, H.,Cooper, A.,de Man, J.,Kaptein, A.,Maloney, K.,Hornak, V.,Gao, Y.D.,Fischmann, T.O.,Raaijmakers, H.,Vu-Pham, D.,Presland, J.,Mansueto, M.,Xu, Z.,Leccese, E.,Zhang-Hoover, J.,Knemeyer, I.,Garlisi, C.G.,Bays, N.,Stivers, P.,Brandish, P.E.,Hicks, A.,Kim, R.,Kozlowski, J.A.; Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.; ACS Med Chem Lett, 7:198-203, 2016; PubMed: 26985298; DOI: 10.1021/acsmedchemlett.5b00463

実験手法

X-RAY DIFFRACTION (1.894 Å)