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

Linhares, B.,Cheng, H.,Cierpicki, T.,Xue, F. (登録日: 2018-01-10, 公開日: 2019-01-16, 最終更新日: 2023-10-04)

• 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; PubMed: 29969259; DOI: 10.1021/acs.jmedchem.8b00040

実験手法

X-RAY DIFFRACTION (1.46092157578 Å)