9QQ3

Crystal structure of human carbonic anhydrase VII in complex with a benzenesufonamide derivative containing the duloxetine moiety

This is a non-PDB format compatible entry.

Summary for 9QQ3

• Entry DOI: 10.2210/pdb9qq3/pdb
• Descriptor: Carbonic anhydrase 7, ZINC ION, [4-[(4-sulfamoylphenyl)carbamothioylamino]phenyl] ~{N}-methyl-~{N}-[(3~{S})-3-naphthalen-1-yloxy-3-thiophen-2-yl-propyl]carbamate, ... (4 entities in total)
• Functional Keywords: duloxetine, neuropathic pain, carbonic anhydrase vii, lyase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 31637.90

Authors

D'Ambrosio, K.,Di Fiore, A.,De Simone, G. (deposition date: 2025-03-31, release date: 2026-04-15)

• Primary citation: Angeli, A.,Rosi, G.,Micheli, L.,D'Ambrosio, K.,Di Fiore, A.,Ghelardini, C.,Di Cesare Mannelli, L.,Bartolucci, G.,Carta, F.,De Simone, G.,Papini, A.M.,Supuran, C.T.; Multimodal Neuropathic Pain Management: Novel Approaches Through Inhibition of the Carbonic Anhydrase Enzymes; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.6 Å)