| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM15224 |
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| Substrate/Competitor | BDBM10856 |
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| Meas. Tech. | CA Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 298.15±n/a K |
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| Ki | 6.9±n/a nM |
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| Citation |  Wilkinson, BL; Bornaghi, LF; Houston, TA; Innocenti, A; Vullo, D; Supuran, CT; Poulsen, SA Carbonic anhydrase inhibitors: inhibition of isozymes I, II, and IX with triazole-linked O-glycosides of benzene sulfonamides. J Med Chem50:1651-7 (2007) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, 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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| BDBM15224 |
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| BDBM10856 |
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| Name | BDBM15224 |
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| Synonyms: | 4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyranosyl)oxy]methyl}-1H-1,2,3-triazol-1-yl)benzenesulfonamide | CHEMBL221576 | [(2R,3S,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-{[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methoxy}oxan-2-yl]methyl acetate | glycoconjugate sulfonamide 8 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H28N4O12S |
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| Mol. Mass. | 584.553 |
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| SMILES | CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r| |
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| Structure | 
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