8QHG

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

Summary for 8QHG

• Entry DOI: 10.2210/pdb8qhg/pdb
• Descriptor: Carbonic anhydrase 2, 2,4-dichloro-5-sulfamoylbenzoic acid, ZINC ION, ... (5 entities in total)
• Functional Keywords: metalloenzyme, lyase, inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 30449.93

Authors

Baroni, C.,Ferraroni, M.,Carta, F. (deposition date: 2023-09-08, release date: 2024-09-18, Last modification date: 2025-10-01)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (1.91 Å)