9EP2

Crystal structure of the complex of human carbonic anhydrase I with 4-sulfamoylphenyl 3-(p-tolylthio)propanoate

これはPDB形式変換不可エントリーです。

9EP2 の概要

• エントリーDOI: 10.2210/pdb9ep2/pdb
• 分子名称: Carbonic anhydrase 1, ACETATE ION, ZINC ION, ... (5 entities in total)
• 機能のキーワード: carbonic anhydrase, sulfonamide, inhibitor, metalloenzyme, 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: 58764.16

構造登録者

Angeli, A.,Ferraroni, M. (登録日: 2024-03-16, 公開日: 2025-03-26, 最終更新日: 2025-10-08)

主引用文献

Angeli, A.,Occhini, A.,Renzi, G.,Capperucci, A.,Ferraroni, M.,Tanini, D.,Supuran, C.T.
Thia- and Seleno-Michael Reactions for the Synthesis of Carbonic Anhydrases Inhibitors.
Chemmedchem, 19:e202400345-e202400345, 2024

PubMed Abstract: Novel chalcogen-containing amides and esters bearing the benzenesulfonamide moiety have been synthesised upon nucleophilic conjugate addition of thiols and selenols to suitable electron-deficient alkenes. The activity of the synthesised compounds as Carbonic Anhydrases inhibitors has been investigated in vitro and the inhibition mechanism has been elucidated by X-rays studies.

PubMed: 39031732
DOI: 10.1002/cmdc.202400345

実験手法

X-RAY DIFFRACTION (1.47 Å)