8CDX
Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide
This is a non-PDB format compatible entry.
Summary for 8CDX
| Entry DOI | 10.2210/pdb8cdx/pdb |
| Descriptor | Carbonic anhydrase 1, ZINC ION, 1-ethyl-3-(4-sulfamoylphenyl)urea, ... (4 entities in total) |
| Functional Keywords | carbonic anhydrase i, sulfonamide, metalloenzyme, inhibitor, lyase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 58429.76 |
| Authors | Angeli, A.,Ferraroni, M. (deposition date: 2023-02-01, release date: 2024-02-21, Last modification date: 2024-09-04) |
| Primary citation | Denner, T.C.,Angeli, A.,Ferraroni, M.,Supuran, C.T.,Csuk, R. Ureidobenzenesulfonamides as Selective Carbonic Anhydrase I, IX, and XII Inhibitors. Molecules, 28:-, 2023 Cited by PubMed Abstract: 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 (4-[3-(2-benzylphenyl)ureido]benzenesulfonamide) held an exceptionally low K value of 1.0 nM for hCA XII. PubMed: 38067512DOI: 10.3390/molecules28237782 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.335 Å) |
Structure validation
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