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 | |
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 Cited by PubMed: 30817167DOI: 10.1021/acs.jcim.8b00941 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.4 Å) |
構造検証レポート
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