| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM4078 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_942131 (CHEMBL2341287) |
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| Ki | 68200±n/a nM |
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| Citation |  Davis, RA; Vullo, D; Maresca, A; Supuran, CT; Poulsen, SA Natural product coumarins that inhibit human carbonic anhydrases. Bioorg Med Chem21:1539-43 (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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| BDBM4078 |
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| n/a |
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| Name | BDBM4078 |
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| Synonyms: | 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione | CHEMBL6246 | ELLAGIC ACID | Elagic Acid | Ellagic acid (18) | Ellagic acid dihydrate | MLS000069632 | SMR000058244 | cid_5281855 |
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| Type | Small organic molecule |
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| Emp. Form. | C14H6O8 |
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| Mol. Mass. | 302.1926 |
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| SMILES | Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O |
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| Structure | 
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