6C3L
Crystal structure of BCL6 BTB domain with compound 15f
6C3L の概要
エントリーDOI | 10.2210/pdb6c3l/pdb |
分子名称 | B-cell lymphoma 6 protein, N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea (3 entities in total) |
機能のキーワード | inhibitor, protein-protein interaction, protein binding, protein binding-inhibitor complex, protein binding/inhibitor |
由来する生物種 | Homo sapiens (Human) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 30980.12 |
構造登録者 | |
主引用文献 | Cheng, H.,Linhares, B.M.,Yu, W.,Cardenas, M.G.,Ai, Y.,Jiang, W.,Winkler, A.,Cohen, S.,Melnick, A.,MacKerell Jr., A.,Cierpicki, T.,Xue, F. Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J.Med.Chem., 61:7573-7588, 2018 Cited by PubMed: 29969259DOI: 10.1021/acs.jmedchem.8b00040 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.46092157578 Å) |
構造検証レポート
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