| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50190251 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_400479 (CHEMBL912679) |
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| Ki | 22100±n/a nM |
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| Citation |  Slawinski, F; Slawinski, J; Kornicka, A; Brzozowski, Z; Pomarnacka, E; Innocenti, A; Slawinski, A; Slawinski, CT Carbonic anhydrase inhibitors. Inhibition of the cytosolic human isozymes I and II, and the transmembrane, tumor-associated isozymes IX and XII with substituted aromatic sulfonamides activatable in hypoxic tumors. Bioorg Med Chem Lett16:4846-51 (2006) [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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| BDBM50190251 |
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| n/a |
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| Name | BDBM50190251 |
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| Synonyms: | 4-chloro-2-({5-chloro-4-[(pyrrolidin-1-yl)carbonyl]-2-sulfamoylphenyl}disulfanyl)-5-[(pyrrolidin-1-yl)carbonyl]benzene-1-sulfonamide | CHEMBL214993 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H24Cl2N4O6S4 |
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| Mol. Mass. | 639.615 |
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| SMILES | NS(=O)(=O)c1cc(C(=O)N2CCCC2)c(Cl)cc1SSc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)N1CCCC1 |
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| Structure | 
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