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Literature summary for 4.2.1.1 extracted from

  • Durdagi, S.; Sentuerk, M.; Ekinci, D.; Balaydin, H.T.; Goeksu, S.; Kuefrevioglu, Ö.I.; Innocenti, A.; Scozzafava, A.; Supuran, C.T.
    Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site (2011), Bioorg. Med. Chem., 19, 1381-1389.
    View publication on PubMed
Search for more literature for 4.2.1.1

Inhibitors

Inhibitors Comment Organism Structure
1,2,4-trimethoxybenzene
-
 Homo sapiens
1,2-dimethoxybenzene
-
 Homo sapiens
1,4-dimethoxybenzene
-
 Homo sapiens
2,6-dimethoxybenzoic acid
-
 Homo sapiens
3,4-dihydroxybenzoic acid
-
 Homo sapiens
3,4-dimethoxybenzoic acid
-
 Homo sapiens
3,5-Dihydroxybenzoic acid
-
 Homo sapiens
3-Hydroxybenzoic acid
-
 Homo sapiens
5-amino-1,3,4-thiadiazole-2-sulfonamide
-
 Homo sapiens
coumarin
-
 Homo sapiens
additional information carbonic anhydrases are inhibited by sulfonamides, inorganic anions, phenols, coumarins (acting as prodrugs) and polyamines. Development of hydroxy-, methoxy-substituted benzoic acids as well as di-, tri-methoxy benzenes as submicromolar-low micromolar inhibitors of carbonic anhydrase isozymes, molecular docking and inhibition mechanism, overview Homo sapiens
phenol
-
 Homo sapiens
spermine
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
cytosol isozymes I and II Homo sapiens 5829
-
membrane transmembrane isozymes IX and XII Homo sapiens 16020
-

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ required Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
H2CO3 Homo sapiens
-
 CO2 + H2O
-
 r

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
 isozymes I, II, IX and XII
-

Source Tissue

Source Tissue Comment Organism Textmining
additional information cancer-associated cell, isozymes IX and XII Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
H2CO3
-
 Homo sapiens CO2 + H2O
-
 r

Synonyms

Synonyms Comment Organism
carbonic anhydrase
-
 Homo sapiens

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
22
-
 assay at room temperature Homo sapiens

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.5
-
 assay at Homo sapiens

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.000033
-
 5-amino-1,3,4-thiadiazole-2-sulfonamide isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.000041
-
 5-amino-1,3,4-thiadiazole-2-sulfonamide isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00006
-
 5-amino-1,3,4-thiadiazole-2-sulfonamide isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.000353
-
 3-Hydroxybenzoic acid isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.000367
-
 3,5-Dihydroxybenzoic acid isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00047
-
 3,4-dihydroxybenzoic acid isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.0005
-
 1,2-dimethoxybenzene isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.00051
-
 3,5-Dihydroxybenzoic acid isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.00055
-
 3,5-Dihydroxybenzoic acid isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.0006
-
 3-Hydroxybenzoic acid isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.000823
-
 2,6-dimethoxybenzoic acid isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00102
-
 2,6-dimethoxybenzoic acid isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.00143
-
 1,2,4-trimethoxybenzene isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.0018
-
 3,4-dihydroxybenzoic acid isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.00237
-
 3-Hydroxybenzoic acid isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.0031
-
 coumarin isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.00335
-
 1,4-dimethoxybenzene isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.00402
-
 1,4-dimethoxybenzene isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00406
-
 1,2,4-trimethoxybenzene isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00409
-
 3,4-dihydroxybenzoic acid isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00415
-
 1,4-dimethoxybenzene isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00441
-
 3,5-Dihydroxybenzoic acid isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00445
-
 3,4-dihydroxybenzoic acid isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00453
-
 3-Hydroxybenzoic acid isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.0055
-
 phenol isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.00596
-
 1,2,4-trimethoxybenzene isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.00618
-
 3,4-dimethoxybenzoic acid isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.0067
-
 3,4-dimethoxybenzoic acid isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00683
-
 3,4-dimethoxybenzoic acid isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.0078
-
 1,2,4-trimethoxybenzene isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00821
-
 1,4-dimethoxybenzene isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.00825
-
 3,4-dimethoxybenzoic acid isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00836
-
 1,2-dimethoxybenzene isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.0086
-
 5-amino-1,3,4-thiadiazole-2-sulfonamide isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.00863
-
 1,2-dimethoxybenzene isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.0088
-
 phenol isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.00907
-
 2,6-dimethoxybenzoic acid isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.0092
-
 coumarin isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.0092
-
 phenol isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.00967
-
 2,6-dimethoxybenzoic acid isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.0102
-
 phenol isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.0104
-
 1,2-dimethoxybenzene isozyme hCAI, pH 7.5, 22°C Homo sapiens
0.0133
-
 spermine isozyme hCAIX, pH 7.5, 22°C Homo sapiens
0.0276
-
 spermine isozyme hCAXII, pH 7.5, 22°C Homo sapiens
0.084
-
 spermine isozyme hCAII, pH 7.5, 22°C Homo sapiens
0.231
-
 spermine isozyme hCAI, pH 7.5, 22°C Homo sapiens
1
-
 coumarin above, isozyme hCAIX, pH 7.5, 22°C Homo sapiens
1
-
 coumarin above, isozyme hCAXII, pH 7.5, 22°C Homo sapiens