Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50167423 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_302503 (CHEMBL828219) |
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Ki | 85±n/a nM |
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Citation | Puccetti, L; Fasolis, G; Vullo, D; Chohan, ZH; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with Schiff's bases incorporating chromone and aromatic sulfonamide moieties, and their zinc complexes. Bioorg Med Chem Lett15:3096-101 (2005) [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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BDBM50167423 |
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n/a |
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Name | BDBM50167423 |
Synonyms: | 4-((6-methyl-4-oxo-4H-chromen-3-yl)methyleneamino)-6-(trifluoromethyl)benzene-1,3-disulfonamide | 4-[(6-Methyl-4-oxo-4H-chromen-3-ylmethylene)-amino]-6-trifluoromethyl-benzene-1,3-disulfonic acid diamide | CHEMBL196697 |
Type | Small organic molecule |
Emp. Form. | C18H14F3N3O6S2 |
Mol. Mass. | 489.445 |
SMILES | Cc1ccc2occ(\C=N\c3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)c(=O)c2c1 |
Structure |
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