6EDA

Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.

6EDA の概要

• エントリーDOI: 10.2210/pdb6eda/pdb
• 分子名称: Carbonic anhydrase 2, ZINC ION, 4-hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide, ... (4 entities in total)
• 機能のキーワード: hypoxia, carbonic anhydrase ix, carbonic anhydrase xii, inhibition, anti-proliferative., lyase, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 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: 29418.37

構造登録者

Singh, S.,McKenna, R.,Supuran, C.T.,Nocentini, A.,Lomelino, C.,Lucarini, E.,Bartolucci, G.,Mannelli, L.D.C.,Ghelardini, C.,Gratteri, P. (登録日: 2018-08-09, 公開日: 2018-11-28, 最終更新日: 2023-10-11)

• 主引用文献: Nocentini, A.,Trallori, E.,Singh, S.,Lomelino, C.L.,Bartolucci, G.,Di Cesare Mannelli, L.,Ghelardini, C.,McKenna, R.,Gratteri, P.,Supuran, C.T.; 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.; J. Med. Chem., 61:10860-10874, 2018; PubMed: 30433782; DOI: 10.1021/acs.jmedchem.8b01504

実験手法

X-RAY DIFFRACTION (1.879 Å)