8DEA

Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors

8DEA の概要

• エントリーDOI: 10.2210/pdb8dea/pdb
• 関連するPDBエントリー: 1BFP 1DIC
• 分子名称: Complement factor D, 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: serine protease inhibitor complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 100293.23

構造登録者

Raman, K.,Babu, Y.S. (登録日: 2022-06-20, 公開日: 2022-11-02, 最終更新日: 2023-10-18)

• 主引用文献: Zhang, W.,Wu, M.,Vadlakonda, S.,Juarez, L.,Cheng, X.,Muppa, S.,Chintareddy, V.,Vogeti, L.,Kellogg-Yelder, D.,Williams, J.,Polach, K.,Chen, X.,Raman, K.,Babu, Y.S.,Kotian, P.; Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.; Bioorg.Med.Chem., 74:117034-117034, 2022; PubMed: 36272185; DOI: 10.1016/j.bmc.2022.117034

実験手法

X-RAY DIFFRACTION (2.214 Å)