6NFH

BTK in complex with inhibitor 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione

6NFH の概要

• エントリーDOI: 10.2210/pdb6nfh/pdb
• 分子名称: Tyrosine-protein kinase BTK, 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: bruton tyrosine kinase, btk, kinase, btk inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32459.23

構造登録者

Mirzadegan, T.,Damm-Ganamet, K.L. (登録日: 2018-12-20, 公開日: 2019-03-13, 最終更新日: 2023-10-11)

• 主引用文献: Damm-Ganamet, K.L.,Arora, N.,Becart, S.,Edwards, J.P.,Lebsack, A.D.,McAllister, H.M.,Nelen, M.I.,Rao, N.L.,Westover, L.,Wiener, J.J.M.,Mirzadegan, T.; Accelerating Lead Identification by High Throughput Virtual Screening: Prospective Case Studies from the Pharmaceutical Industry.; J.Chem.Inf.Model., 59:2046-2062, 2019; PubMed: 30817167; DOI: 10.1021/acs.jcim.8b00941

実験手法

X-RAY DIFFRACTION (1.4 Å)