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Literature summary for 4.2.1.1 extracted from

  • Biswas, S.; Aggarwal, M.; Guezel, O.e.; Scozzafava, A.; McKenna, R.; Supuran, C.T.
    Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms (2011), Bioorg. Med. Chem., 19, 3732-3738.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
carbonic anhydrase II complexed with two aromatic sulfonamide inhibitors N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide and N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide incorporating 2-thienylacetamido moieties, hanging drop vapor diffusion method, drops of 0.005 ml containing 0.5 mM hCA II, 1 mM inhibitor, 0.1% DMSO, 0.8 M sodium citrate, 50 mM Tris-HCl, pH 8.0,are equilibrated against 1 ml precipitant solution containing 1.6 M sodium citrate and 50 mM Tris-HCl, pH 8.0, at room temperature, X-ray diffraction structure determination and analysis at 1.6-1.7 A resolution Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
acetazolamide
-
Homo sapiens
dichlorophenamide
-
Homo sapiens
methazolamide
-
Homo sapiens
additional information an additional 3-fluoro substituent on the 4-amino-benzenesulfonamide scaffold of inhibitors alters the inhibition profiles against the cytosolic isozymes hCA I, II, III, VII and XIII, interaction analysis, overview. The binding differences render the inhibitors more isozyme-specific. Docking studies, overview Homo sapiens
N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
-
Homo sapiens
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
-
Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
cytosol cytosolic isozymes hCA I, II, III, VII and XIII Homo sapiens 5829
-

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
isozymes hCA I, II, III, VII and XIII
-

Synonyms

Synonyms Comment Organism
carbonic anhydrase
-
Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000062
-
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAVII, pH 7.5, temperature not specified in the publication Homo sapiens
0.000007
-
N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAVII, pH 7.5, temperature not specified in the publication Homo sapiens
0.00005
-
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAII, pH 7.5, temperature not specified in the publication Homo sapiens
0.000061
-
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAI, pH 7.5, temperature not specified in the publication Homo sapiens
0.000125
-
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAXIII, pH 7.5, temperature not specified in the publication Homo sapiens
0.000161
-
N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAI, pH 7.5, temperature not specified in the publication Homo sapiens
0.00039
-
N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAII, pH 7.5, temperature not specified in the publication Homo sapiens
0.000437
-
N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAXIII, pH 7.5, temperature not specified in the publication Homo sapiens
0.08
-
N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAIII, pH 7.5, temperature not specified in the publication Homo sapiens
0.12
-
N-(2-fluoro-4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide inhibition of CO2 hydration by isozyme hCAIII, pH 7.5, temperature not specified in the publication Homo sapiens