| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM239156 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | CA Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 277.15±n/a K |
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| Ki | >2.00e+5±n/a nM |
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| Comments | extracted |
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| Citation |  Bonneau, A; Maresca, A; Winum, JY; Supuran, CT Metronidazole-coumarin conjugates and 3-cyano-7-hydroxy-coumarin act as isoform-selective carbonic anhydrase inhibitors. J Enzyme Inhib Med Chem28:397-401 (2013) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 28873.37 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P00915 |
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| Residue: | 261 |
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| Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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| BDBM239156 |
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| n/a |
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| Name | BDBM239156 |
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| Synonyms: | 6-O-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-4-methylcoumarine (1b) |
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| Type | Small organic molecule |
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| Emp. Form. | C16H15N3O5 |
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| Mol. Mass. | 329.3074 |
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| SMILES | Cc1ncc(n1CCOc1ccc2oc(=O)cc(C)c2c1)[N+]([O-])=O |
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| Structure | 
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