3BL1
Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications
Summary for 3BL1
| Entry DOI | 10.2210/pdb3bl1/pdb |
| Related | 2EU2 2EU3 3BL0 |
| Descriptor | Carbonic anhydrase 2, ZINC ION, MERCURY (II) ION, ... (5 entities in total) |
| Functional Keywords | carbonic anhydrase, inhibitors, diuretics, acetylation, cytoplasm, disease mutation, lyase, metal-binding, polymorphism, zinc, lyase(oxo-acid) |
| Biological source | Homo sapiens (Human) |
| Cellular location | Cytoplasm : P00918 |
| Total number of polymer chains | 1 |
| Total formula weight | 29920.90 |
| Authors | Temperini, C.,Cecchi, A.,Supuran, C.T. (deposition date: 2007-12-10, release date: 2008-07-01, Last modification date: 2024-02-21) |
| Primary citation | Temperini, C.,Cecchi, A.,Scozzafava, A.,Supuran, C.T. Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct. Bioorg.Med.Chem.Lett., 18:2567-2573, 2008 Cited by PubMed Abstract: Diuretics such as hydrochlorothiazide, hydroflumethiazide, quinethazone, metolazone, chlorthalidone, indapamide, furosemide, and bumetanide containing primary sulfamoyl moieties were reevaluated as inhibitors of 12 human carbonic anhydrases (hCAs, EC 4.2.1.1). These drugs considerably inhibit (low nanomolar range) some CA isozymes involved in critical physiologic processes, among the 16 present in vertebrates, for example, metolazone against CA VII, XII, and XIII, chlorthalidone against CA VB, VII, IX, XII, and XIII, indapamide against CA VII, IX, XII, and XIII, furosemide against CA I, II, and XIV, and bumetanide against CA IX and XII. The X-ray crystal structure of the hCA II-indapamide adduct was also resolved at high resolution. PubMed: 18374572DOI: 10.1016/j.bmcl.2008.03.051 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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