| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50155547 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_302854 (CHEMBL828770) |
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| Ki | 0.6±n/a nM |
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| Citation |  Cecchi, A; Winum, JY; Innocenti, A; Vullo, D; Montero, JL; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides derived from 4-isothiocyanato-benzolamide. Bioorg Med Chem Lett14:5775-80 (2004) [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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| BDBM50155547 |
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| n/a |
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| Name | BDBM50155547 |
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| Synonyms: | 5-(4-{3-[1,2-Dihydroxy-2-(4-nitro-phenyl)-ethyl]-thioureido}-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide | CHEMBL185170 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H17N7O8S4 |
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| Mol. Mass. | 575.619 |
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| SMILES | NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=[SH+])[N-]C(O)C(O)c3ccc(cc3)[N+]([O-])=O)cc2)s1 |
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| Structure | 
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