Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50241251 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_561993 (CHEMBL1010056) |
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Ki | 1765±n/a nM |
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Citation | Marques, SM; Nuti, E; Rossello, A; Supuran, CT; Tuccinardi, T; Martinelli, A; Santos, MA Dual inhibitors of matrix metalloproteinases and carbonic anhydrases: iminodiacetyl-based hydroxamate-benzenesulfonamide conjugates. J Med Chem51:7968-79 (2008) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 28873.37 |
Organism: | Homo sapiens (Human) |
Description: | P00915 |
Residue: | 261 |
Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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BDBM50241251 |
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n/a |
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Name | BDBM50241251 |
Synonyms: | 2-[hydroxycarbamoylmethyl-(4-methoxy-benzenesulfonyl)-amino]-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide | CHEMBL234529 | N-(4-Methoxybenzenesulfonyl)-N-{[2-(4-sulfamoylphenyl)ethylcarbamoyl]methyl}aminoacetohydroxamic Acid |
Type | Small organic molecule |
Emp. Form. | C19H24N4O8S2 |
Mol. Mass. | 500.546 |
SMILES | COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)CC(=O)NCCc1ccc(cc1)S(N)(=O)=O |
Structure |
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