8cdx

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Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamideHuman carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide

Structural highlights

8cdx is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.335Å
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CAH1_HUMAN Reversible hydration of carbon dioxide. Can hydrates cyanamide to urea.[1]

Publication Abstract from PubMed

Sulfonamides remain an important class of drugs, especially because of their inhibitory effects on carbonic anhydrases. Herein, we have synthesized several sulfonamides and tested them for their inhibitory activity against carbonic anhydrases hCA I, hCA II, hCA IX, and hCA XII, respectively. Thereby, biphenyl- and benzylphenyl-substituted sulfonamides showed high selectivity against hCA IX and hCA XII; these enzymes are common targets in the treatment of hypoxic cancers, and noteworthy inhibitory activity was observed for several compounds toward hCA I that might be of interest for future applications to treat cerebral edema. Compound 3 (4-[3-(2-benzylphenyl)ureido]benzenesulfonamide) held an exceptionally low K(i) value of 1.0 nM for hCA XII.

Ureidobenzenesulfonamides as Selective Carbonic Anhydrase I, IX, and XII Inhibitors.,Denner TC, Angeli A, Ferraroni M, Supuran CT, Csuk R Molecules. 2023 Nov 26;28(23):7782. doi: 10.3390/molecules28237782. PMID:38067512[2]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Briganti F, Mangani S, Scozzafava A, Vernaglione G, Supuran CT. Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction? J Biol Inorg Chem. 1999 Oct;4(5):528-36. PMID:10550681
  2. Denner TC, Angeli A, Ferraroni M, Supuran CT, Csuk R. Ureidobenzenesulfonamides as Selective Carbonic Anhydrase I, IX, and XII Inhibitors. Molecules. 2023 Nov 26;28(23):7782. PMID:38067512 doi:10.3390/molecules28237782

8cdx, resolution 1.33Å

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OCA