6HWZ
Selenols: a new class of Carbonic Anhydrase inhibitors
Summary for 6HWZ
| Entry DOI | 10.2210/pdb6hwz/pdb |
| Descriptor | Carbonic anhydrase 1, ZINC ION, benzeneselenol, ... (4 entities in total) |
| Functional Keywords | lyase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 58257.33 |
| Authors | Angeli, A.,Ferraroni, M. (deposition date: 2018-10-15, release date: 2018-12-26, Last modification date: 2024-05-15) |
| Primary citation | Angeli, A.,Tanini, D.,Nocentini, A.,Capperucci, A.,Ferraroni, M.,Gratteri, P.,Supuran, C.T. Selenols: a new class of carbonic anhydrase inhibitors. Chem. Commun. (Camb.), 55:648-651, 2019 Cited by PubMed Abstract: Stable aryl selenols were obtained through a convenient procedure. Selenols represent a new chemotype acting as carbonic anhydrase inhibitors (CAIs), inhibiting four human isoforms, CAs I, II, VII and the tumor-associated CA IX. X-ray crystallographic, physical and computational studies provided insights into the binding mode of this conceptually new class of CAIs. PubMed: 30560259DOI: 10.1039/c8cc08562e PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.64 Å) |
Structure validation
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