9GUO

Human carbonic anhydrase II complexed with 2-(1H-tetrazol-5-yl)acetic acid

This is a non-PDB format compatible entry.

Summary for 9GUO

• Entry DOI: 10.2210/pdb9guo/pdb
• Descriptor: Carbonic anhydrase 2, ethyl 2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoate, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: carbonic anhydrase ii, tetrazole, inhibitor, metalloenzyme, lyase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 29572.68

Authors

Angeli, A.,Ferraroni, M. (deposition date: 2024-09-20, release date: 2025-07-02)

Primary citation

Giovannuzzi, S.,Angeli, A.,Begines, P.,Ferraroni, M.,Nocentini, A.,Supuran, C.T.
Tetrazole Is a Novel Zinc Binder Chemotype for Carbonic Anhydrase Inhibition.
Acs Med.Chem.Lett., 16:163-166, 2025

PubMed Abstract: The tetrazole group is here proposed as a zinc-binding warhead for the inhibition of the metalloenzyme carbonic anhydrases. A set of synthesized derivatives incorporating the tetrazole moiety were evaluated as inhibitors against a panel of human isoforms, exhibiting values spanning between the submicromolar and low-to-medium micromolar ranges (0.62-19.6 μM). X-ray crystallographic studies were conducted to gain insights into their modes of binding to the target enzyme. These findings mark a significant advancement in the search for inhibitory chemotypes other than classical sulfonamides.

PubMed: 39811134
DOI: 10.1021/acsmedchemlett.4c00562

Experimental method

X-RAY DIFFRACTION (1.65 Å)