8CDX

Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide

これはPDB形式変換不可エントリーです。

8CDX の概要

• エントリーDOI: 10.2210/pdb8cdx/pdb
• 分子名称: Carbonic anhydrase 1, ZINC ION, 1-ethyl-3-(4-sulfamoylphenyl)urea, ... (4 entities in total)
• 機能のキーワード: carbonic anhydrase i, sulfonamide, metalloenzyme, inhibitor, lyase
• 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: 58429.76

構造登録者

Angeli, A.,Ferraroni, M. (登録日: 2023-02-01, 公開日: 2024-02-21, 最終更新日: 2024-09-04)

主引用文献

Denner, T.C.,Angeli, A.,Ferraroni, M.,Supuran, C.T.,Csuk, R.
Ureidobenzenesulfonamides as Selective Carbonic Anhydrase I, IX, and XII Inhibitors.
Molecules, 28:-, 2023

PubMed Abstract: Sulfonamides remain an important class of drugs, especially because of their inhibitory effects on carbonic anhydrases. Herein, we have synthesized several sulfonamides and tested them for their inhibitory activity against carbonic anhydrases hCA I, hCA II, hCA IX, and hCA XII, respectively. Thereby, biphenyl- and benzylphenyl-substituted sulfonamides showed high selectivity against hCA IX and hCA XII; these enzymes are common targets in the treatment of hypoxic cancers, and noteworthy inhibitory activity was observed for several compounds toward hCA I that might be of interest for future applications to treat cerebral edema. Compound (4-[3-(2-benzylphenyl)ureido]benzenesulfonamide) held an exceptionally low K value of 1.0 nM for hCA XII.

PubMed: 38067512
DOI: 10.3390/molecules28237782

実験手法

X-RAY DIFFRACTION (1.335 Å)