| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50292007 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_47497 (CHEMBL662724) |
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| Ki | 55±n/a nM |
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| Citation |  Scozzafava, A; Menabuoni, L; Mincione, F; Supuran, CT Carbonic anhydrase inhibitors. A general approach for the preparation of water-soluble sulfonamides incorporating polyamino-polycarboxylate tails and of their metal complexes possessing long-lasting, topical intraocular pressure-lowering properties. J Med Chem45:1466-76 (2002) [PubMed] |
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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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| BDBM50292007 |
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| n/a |
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| Name | BDBM50292007 |
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| Synonyms: | CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid | {{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Al complex | {{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Cu complex | {{2-[2-(2-{Carboxymethyl-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-[(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid; compound with Zn complex |
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| Type | Small organic molecule |
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| Emp. Form. | C18H28N10O12S4 |
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| Mol. Mass. | 704.735 |
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| SMILES | NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1 |
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| Structure | 
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