Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50336490 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_716902 (CHEMBL1670881) |
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Ki | 550±n/a nM |
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Citation | Durdagi, S; Sentürk, M; Ekinci, D; Balaydin, HT; Göksu, S; Küfrevioglu, ÖI; Innocenti, A; Scozzafava, A; Supuran, CT 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. Bioorg Med Chem19:1381-9 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 1 |
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Name: | Carbonic anhydrase 1 |
Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA |
Type: | Enzyme |
Mol. Mass.: | 28873.37 |
Organism: | Homo sapiens (Human) |
Description: | P00915 |
Residue: | 261 |
Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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BDBM50336490 |
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n/a |
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Name | BDBM50336490 |
Synonyms: | 3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid | 3,5-Dihydroxybenzoate, IX | 3,5-dihydroxybenzoic acid | 3,5-dihydroxybenzoicacid | CHEMBL95308 |
Type | Small organic molecule |
Emp. Form. | C7H6O4 |
Mol. Mass. | 154.1201 |
SMILES | OC(=O)c1cc(O)cc(O)c1 |
Structure |
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