6E91

CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2484

6E91 の概要

• エントリーDOI: 10.2210/pdb6e91/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, 7-methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium, ... (4 entities in total)
• 機能のキーワード: carbonic anhydrase steroid sulfamate cancer, lyase
• 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: 29345.35

構造登録者

Andring, J.T.,Mckenna, R. (登録日: 2018-07-31, 公開日: 2019-03-27, 最終更新日: 2023-10-11)

• 主引用文献: Andring, J.T.,Dohle, W.,Tu, C.,Potter, B.V.L.,McKenna, R.; 3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.; J. Med. Chem., 62:2202-2212, 2019; PubMed: 30721041; DOI: 10.1021/acs.jmedchem.8b01990

実験手法

X-RAY DIFFRACTION (1.8 Å)