5J87

Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor

5J87 の概要

• エントリーDOI: 10.2210/pdb5j87/pdb
• 分子名称: Tyrosine-protein kinase BTK, N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide (3 entities in total)
• 機能のキーワード: btk, 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: 4
• 化学式量合計: 130061.39

構造登録者

Yun, C.H.,Zhang, S. (登録日: 2016-04-07, 公開日: 2017-04-19, 最終更新日: 2017-10-04)

• 主引用文献: Liang, Q.,Chen, Y.,Yu, K.,Chen, C.,Zhang, S.,Wang, A.,Wang, W.,Wu, H.,Liu, X.,Wang, B.,Wang, L.,Hu, Z.,Wang, W.,Ren, T.,Zhang, S.,Liu, Q.,Yun, C.H.,Liu, J.; Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.; Eur J Med Chem, 131:107-125, 2017; PubMed: 28315597; DOI: 10.1016/j.ejmech.2017.03.001

実験手法

X-RAY DIFFRACTION (1.59 Å)