| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM50524472 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1893501 (CHEMBL4395422) |
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| Ki | 4142±n/a nM |
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| Citation |  Cornelio, B; Laronze-Cochard, M; Miambo, R; De Grandis, M; Riccioni, R; Borisova, B; Dontchev, D; Machado, C; Ceruso, M; Fontana, A; Supuran, CT; Sapi, J 5-Arylisothiazol-3(2H)-one-1,(1)-(di)oxides: A new class of selective tumor-associated carbonic anhydrases (hCA IX and XII) inhibitors. Eur J Med Chem175:40-48 (2019) [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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| BDBM50524472 |
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| n/a |
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| Name | BDBM50524472 |
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| Synonyms: | CHEMBL4536817 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H17NO2S |
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| Mol. Mass. | 299.387 |
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| SMILES | CC(C)(C)N1[S+]([O-])C(=CC1=O)c1ccc2ccccc2c1 |c:7| |
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| Structure | 
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