5UMC
Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography
Summary for 5UMC
| Entry DOI | 10.2210/pdb5umc/pdb |
| Descriptor | Carbonic anhydrase 2, ZINC ION, GLYCEROL, ... (5 entities in total) |
| Functional Keywords | carbonic anhydrase inhibitors, metalloenzymes, glutathione peroxidase, lyase |
| Biological source | Homo sapiens (Human) |
| Cellular location | Cytoplasm : P00918 |
| Total number of polymer chains | 1 |
| Total formula weight | 29538.66 |
| Authors | Peat, T.S.,Angeli, A.,Tanini, D.,Bartolucci, G.,Capperucci, A.,Supuran, C.T.,Carta, F. (deposition date: 2017-01-26, release date: 2017-12-06, Last modification date: 2023-10-04) |
| Primary citation | Angeli, A.,Tanini, D.,Peat, T.S.,Di Cesare Mannelli, L.,Bartolucci, G.,Capperucci, A.,Ghelardini, C.,Supuran, C.T.,Carta, F. Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8:963-968, 2017 Cited by PubMed Abstract: A series of benzenesulfonamides bearing selenourea moieties was obtained considering the ureido-sulfonamide , in Phase I clinical trials as antitumor agent, as a lead molecule. All compounds showed interesting inhibition potencies against the physiologically relevant human (h) carbonic anhydrase (hCAs, EC 4.2.1.1) isoforms I, II, IV, and IX. The most flexible analogues in the series - showed low nanomolar inhibition constants against hCA I, II, and IX. We assessed selected compounds on the antioxidant properties and binding modes and evaluated human prostate (PC3), breast (MDA-MB-231), and colon-rectal (HT-29) cancer cell lines both in normoxic and hypoxic conditions. PubMed: 28947945DOI: 10.1021/acsmedchemlett.7b00280 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.15 Å) |
Structure validation
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