| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM54376 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_735539 (CHEMBL1693044) |
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| Ki | 2150±n/a nM |
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| Citation |  Pacchiano, F; Carta, F; McDonald, PC; Lou, Y; Vullo, D; Scozzafava, A; Dedhar, S; Supuran, CT Ureido-substituted benzenesulfonamides potently inhibit carbonic anhydrase IX and show antimetastatic activity in a model of breast cancer metastasis. J Med Chem54:1896-902 (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 |
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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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| BDBM54376 |
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| n/a |
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| Name | BDBM54376 |
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| Synonyms: | 6-Hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester | 6-hexyl-7-hydroxy-2-keto-chromene-3-carboxylic acid ethyl ester | 6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester | MLS000777587 | SMR000413981 | cid_5545047 | ethyl 6-hexyl-7-hydroxy-2-oxochromene-3-carboxylate | ethyl 6-hexyl-7-oxidanyl-2-oxidanylidene-chromene-3-carboxylate |
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| Type | Small organic molecule |
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| Emp. Form. | C18H22O5 |
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| Mol. Mass. | 318.3643 |
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| SMILES | CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O |
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| Structure | 
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