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Literature summary extracted from
- 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.
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 4.2.1.1 | 1,2,4-trimethoxybenzene | - |
Homo sapiens |  |
| 4.2.1.1 | 1,2-dimethoxybenzene | - |
Homo sapiens | |
| 4.2.1.1 | 1,4-dimethoxybenzene | - |
Homo sapiens | |
| 4.2.1.1 | 2,6-dimethoxybenzoic acid | - |
Homo sapiens | |
| 4.2.1.1 | 3,4-dihydroxybenzoic acid | - |
Homo sapiens | |
| 4.2.1.1 | 3,4-dimethoxybenzoic acid | - |
Homo sapiens | |
| 4.2.1.1 | 3,5-Dihydroxybenzoic acid | - |
Homo sapiens | |
| 4.2.1.1 | 3-Hydroxybenzoic acid | - |
Homo sapiens | |
| 4.2.1.1 | 5-amino-1,3,4-thiadiazole-2-sulfonamide | - |
Homo sapiens | |
| 4.2.1.1 | coumarin | - |
Homo sapiens | |
| 4.2.1.1 | 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 | |
| 4.2.1.1 | phenol | - |
Homo sapiens | |
| 4.2.1.1 | spermine | - |
Homo sapiens | |
Localization
| EC Number | Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|---|
| 4.2.1.1 | cytosol | isozymes I and II | Homo sapiens | 5829 | - |
| 4.2.1.1 | membrane | transmembrane isozymes IX and XII | Homo sapiens | 16020 | - |
Metals/Ions
| EC Number | Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|---|
| 4.2.1.1 | Zn2+ | required | Homo sapiens | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 4.2.1.1 | H2CO3 | Homo sapiens | - |
CO2 + H2O | - |
r | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 4.2.1.1 | Homo sapiens | - |
isozymes I, II, IX and XII | - |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 4.2.1.1 | additional information | cancer-associated cell, isozymes IX and XII | Homo sapiens | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 4.2.1.1 | H2CO3 | - |
Homo sapiens | CO2 + H2O | - |
r | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 4.2.1.1 | carbonic anhydrase | - |
Homo sapiens |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 4.2.1.1 | 22 | - |
assay at room temperature | Homo sapiens |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 4.2.1.1 | 7.5 | - |
assay at | Homo sapiens |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 4.2.1.1 | 0.000033 | - |
5-amino-1,3,4-thiadiazole-2-sulfonamide | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.000041 | - |
5-amino-1,3,4-thiadiazole-2-sulfonamide | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00006 | - |
5-amino-1,3,4-thiadiazole-2-sulfonamide | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.000353 | - |
3-Hydroxybenzoic acid | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.000367 | - |
3,5-Dihydroxybenzoic acid | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00047 | - |
3,4-dihydroxybenzoic acid | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0005 | - |
1,2-dimethoxybenzene | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00051 | - |
3,5-Dihydroxybenzoic acid | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00055 | - |
3,5-Dihydroxybenzoic acid | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0006 | - |
3-Hydroxybenzoic acid | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.000823 | - |
2,6-dimethoxybenzoic acid | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00102 | - |
2,6-dimethoxybenzoic acid | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00143 | - |
1,2,4-trimethoxybenzene | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0018 | - |
3,4-dihydroxybenzoic acid | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00237 | - |
3-Hydroxybenzoic acid | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0031 | - |
coumarin | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00335 | - |
1,4-dimethoxybenzene | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00402 | - |
1,4-dimethoxybenzene | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00406 | - |
1,2,4-trimethoxybenzene | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00409 | - |
3,4-dihydroxybenzoic acid | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00415 | - |
1,4-dimethoxybenzene | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00441 | - |
3,5-Dihydroxybenzoic acid | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00445 | - |
3,4-dihydroxybenzoic acid | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00453 | - |
3-Hydroxybenzoic acid | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0055 | - |
phenol | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00596 | - |
1,2,4-trimethoxybenzene | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00618 | - |
3,4-dimethoxybenzoic acid | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0067 | - |
3,4-dimethoxybenzoic acid | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00683 | - |
3,4-dimethoxybenzoic acid | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0078 | - |
1,2,4-trimethoxybenzene | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00821 | - |
1,4-dimethoxybenzene | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00825 | - |
3,4-dimethoxybenzoic acid | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00836 | - |
1,2-dimethoxybenzene | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0086 | - |
5-amino-1,3,4-thiadiazole-2-sulfonamide | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00863 | - |
1,2-dimethoxybenzene | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0088 | - |
phenol | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00907 | - |
2,6-dimethoxybenzoic acid | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0092 | - |
coumarin | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0092 | - |
phenol | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.00967 | - |
2,6-dimethoxybenzoic acid | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0102 | - |
phenol | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0104 | - |
1,2-dimethoxybenzene | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0133 | - |
spermine | isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.0276 | - |
spermine | isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.084 | - |
spermine | isozyme hCAII, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 0.231 | - |
spermine | isozyme hCAI, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 1 | - |
coumarin | above, isozyme hCAIX, pH 7.5, 22°C | Homo sapiens | |
| 4.2.1.1 | 1 | - |
coumarin | above, isozyme hCAXII, pH 7.5, 22°C | Homo sapiens | |
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