9EP2
Crystal structure of the complex of human carbonic anhydrase I with 4-sulfamoylphenyl 3-(p-tolylthio)propanoate
This is a non-PDB format compatible entry.
Summary for 9EP2
| Entry DOI | 10.2210/pdb9ep2/pdb |
| Descriptor | Carbonic anhydrase 1, ACETATE ION, ZINC ION, ... (5 entities in total) |
| Functional Keywords | carbonic anhydrase, sulfonamide, inhibitor, metalloenzyme, lyase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 2 |
| Total formula weight | 58764.16 |
| Authors | Angeli, A.,Ferraroni, M. (deposition date: 2024-03-16, release date: 2025-03-26, Last modification date: 2025-10-08) |
| Primary citation | Angeli, A.,Occhini, A.,Renzi, G.,Capperucci, A.,Ferraroni, M.,Tanini, D.,Supuran, C.T. Thia- and Seleno-Michael Reactions for the Synthesis of Carbonic Anhydrases Inhibitors. Chemmedchem, 19:e202400345-e202400345, 2024 Cited by PubMed Abstract: Novel chalcogen-containing amides and esters bearing the benzenesulfonamide moiety have been synthesised upon nucleophilic conjugate addition of thiols and selenols to suitable electron-deficient alkenes. The activity of the synthesised compounds as Carbonic Anhydrases inhibitors has been investigated in vitro and the inhibition mechanism has been elucidated by X-rays studies. PubMed: 39031732DOI: 10.1002/cmdc.202400345 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.47 Å) |
Structure validation
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