6B5I

ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)

6B5I の概要

• エントリーDOI: 10.2210/pdb6b5i/pdb
• 関連するPDBエントリー: 6ALJ 6B5G 6B5H
• 分子名称: Retinal dehydrogenase 2, 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (3 entities in total)
• 機能のキーワード: retinoic acid signaling, male contraception, drug discovery, drug development, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase 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: 218524.33

構造登録者

Chen, Y.,Zhu, J.-Y.,Schonbrunn, E. (登録日: 2017-09-29, 公開日: 2018-01-10, 最終更新日: 2023-10-04)

• 主引用文献: Chen, Y.,Zhu, J.Y.,Hong, K.H.,Mikles, D.C.,Georg, G.I.,Goldstein, A.S.,Amory, J.K.,Schonbrunn, E.; Structural Basis of ALDH1A2 Inhibition by Irreversible and Reversible Small Molecule Inhibitors.; ACS Chem. Biol., 13:582-590, 2018; PubMed: 29240402; DOI: 10.1021/acschembio.7b00685

実験手法

X-RAY DIFFRACTION (2.6 Å)