| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 1 |
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| Ligand | BDBM11639 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_587741 (CHEMBL1038577) |
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| Ki | 50000±n/a nM |
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| Citation |  Bertucci, A; Innocenti, A; Zoccola, D; Scozzafava, A; Tambutté, S; Supuran, CT Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem17:5054-8 (2009) [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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| BDBM11639 |
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| n/a |
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| Name | BDBM11639 |
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| Synonyms: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide | CHEMBL118 | CLX | Celebrex | Celecoxib | US10322118, Urea-Based Scaffold Entry 9 | US11478464, Compound Celecoxib | US11786535, Compound Celecoxib | US8741944, Comparative Compound | US9388139, Celecoxib | cid_2662 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14F3N3O2S |
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| Mol. Mass. | 381.372 |
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| SMILES | Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F |
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| Structure | 
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