3NI5

Carbonic anhydrase inhibitor: C1 family

3NI5 の概要

• エントリーDOI: 10.2210/pdb3ni5/pdb
• 関連するPDBエントリー: 3NJ9
• 分子名称: Carbonic anhydrase 2, ZINC ION, MERCURY (II) ION, ... (5 entities in total)
• 機能のキーワード: carbonic anhydrase, inhibitors, sulfonamide, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : P00918
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30036.54

構造登録者

Temperini, C.,Cecchi, A.,Scozzafava, A.,Supuran, C.T. (登録日: 2010-06-15, 公開日: 2011-06-22, 最終更新日: 2023-11-01)

主引用文献

Mincione, F.,Benedini, F.,Biondi, S.,Cecchi, A.,Temperini, C.,Formicola, G.,Pacileo, I.,Scozzafava, A.,Masini, E.,Supuran, C.T.
Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action
Bioorg.Med.Chem.Lett., 21:3216-3221, 2011

PubMed Abstract: Several aromatic/heterocyclic sulfonamide scaffolds have been used to synthesize compounds incorporating NO-donating moieties of the nitrate ester type, which have been investigated for the inhibition of five physiologically relevant human carbonic anhydrase (hCA, EC 4.2.1.1) isoforms: hCA I (offtarget), II, IV and XII (antiglaucoma targets) and IX (antitumor target). Some of the new compounds showed effective in vitro inhibition of the target isoforms involved in glaucoma, and the X-ray crystal structure of one of them revealed factors associated with the marked inhibitory activity. In an animal model of ocular hypertension, one of the new compounds was twice more effective than dorzolamide in reducing elevated intraocular pressure characteristic of this disease, anticipating their potential for the treatment of glaucoma.

PubMed: 21549597
DOI: 10.1016/j.bmcl.2011.04.046

実験手法

X-RAY DIFFRACTION (2.1 Å)