| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM12945 |
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| Substrate/Competitor | BDBM10856 |
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| Meas. Tech. | CA Inhibition Assay |
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| Ki | 3100±n/a nM |
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| Citation |  Wilkinson, BL; Bornaghi, LF; Houston, TA; Innocenti, A; Supuran, CT; Poulsen, SA A novel class of carbonic anhydrase inhibitors: glycoconjugate benzene sulfonamides prepared by "click-tailing". J Med Chem49:6539-48 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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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| BDBM12945 |
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| BDBM10856 |
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| Name | BDBM12945 |
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| Synonyms: | (1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl 4-sulfamoylbenzoate | CHEMBL216245 | Glycoconjugate Benzene Sulfonamide 3gg | Methyl 6-deoxy-6-(4-{4-sulfamoylbenzoyloxy}methyl-1H-1,2,3-triazol-1-yl)-alpha-D-glucopyranoside |
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| Type | Small organic molecule |
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| Emp. Form. | C17H22N4O9S |
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| Mol. Mass. | 458.443 |
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| SMILES | CO[C@H]1O[C@H](Cn2cc(COC(=O)c3ccc(cc3)S(N)(=O)=O)nn2)[C@@H](O)[C@H](O)[C@H]1O |
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| Structure | 
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