8QHG

Human Carbonic Anhydrase IX mimic in complex with Lasamide (2,4-Dichloro 5-sulfamoyl benzoic acid)

8QHG の概要

• エントリーDOI: 10.2210/pdb8qhg/pdb
• 分子名称: Carbonic anhydrase 2, 2,4-dichloro-5-sulfamoylbenzoic acid, ZINC ION, ... (5 entities in total)
• 機能のキーワード: metalloenzyme, 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: 30449.93

構造登録者

Baroni, C.,Ferraroni, M.,Carta, F. (登録日: 2023-09-08, 公開日: 2024-09-18, 最終更新日: 2025-10-01)

主引用文献

Baroni, C.,D'Agostino, I.,Renzi, G.,Kilbile, J.T.,Tamboli, Y.,Ferraroni, M.,Carradori, S.,Capasso, C.,Carta, F.,Supuran, C.T.
Lasamide, a Potent Human Carbonic Anhydrase Inhibitor from the Market: Inhibition Profiling and Crystallographic Studies.
Acs Med.Chem.Lett., 15:1749-1755, 2024

PubMed Abstract: Lasamide is a synthetic precursor and a contaminant of the diuretic Furosemide manufacturing process and represents a highly valuable building block for fragment-based drug discovery approaches. We assessed the ability of Lasamide to inhibit in vitro the human-expressed Carbonic Anhydrases by means of the stopped-flow technique, and we assessed its binding modes within hCAs II and XII-mimic catalytic clefts by X-ray crystallography. Interestingly, an unprecedented crystal form for the hCA IX mimic H-tag is reported and discussed herein.

PubMed: 39411526
DOI: 10.1021/acsmedchemlett.4c00341

実験手法

X-RAY DIFFRACTION (1.91 Å)