| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase |
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| Ligand | BDBM11639 |
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| Substrate/Competitor | BDBM10856 |
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| Meas. Tech. | CA Inhibition Assay |
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| Ki | 7760±n/a nM |
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| Citation |  Nishimori, I; Minakuchi, T; Vullo, D; Scozzafava, A; Innocenti, A; Supuran, CT Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis. J Med Chem52:3116-20 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Carbonic anhydrase |
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| Name: | Carbonic anhydrase |
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| Synonyms: | Carbonic Anhydrase (mtCA 3) | Probable transmembrane carbonic anhydrase |
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| Type: | Enzyme |
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| Mol. Mass.: | 69636.39 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | R4ML78 |
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| Residue: | 655 |
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| Sequence: | MTIAAGALQIVFGLSRMARAALAIAPVVVHAMLAGIGITIALQQIHVLLGGTSHSSAWRN
IVALPDGILHHELHEVIVGGTVIAILLMWSKLPAKVRIIPGPLVAIAGATVLALLPVLQT
ERIDLQGNFFDAIGLPKLAEMSPGGQPWSHEISAIALGVLTIALIASVESLLSAVGVDKL
HHGPRTDFNREMVGQGSANVVSGLLGGLPITGVIVRSSANVAAGARTRMSTILHGVWILL
FASLFTNLVELIPKAALAGLLIVIGAQLVKLAHIKLAWRTGNFVIYAITIVCVVFLNLLE
GVAIGLVVAIVFLLVRVVRAPVEVKPVGGEQSKRWRVDIDGTLSFLLLPRLTTVLSKLPE
GSEVTLNLNADYIDDSVSEAISDWRRAHETRGGVVAIVETSPAKLHHAHARPPKSHFASD
PIGLVPWRSARGKDRGSASVLDRIDEYHRNGAAVLHPHIAGLTDSQDPYELFLTCADSRI
LPNVITASGPGDLYTVRNLGNLVPTDPDDRSVDAALDFAVNQLGVSSVVVCGHSSCAAMT
ALLEDDPANTTTPMMRWLENAHDSLVVFRNHHPARRSAESAGYPEADQLSIVNVAVQVER
LTRHPILATAVAAADLQVIGIFFDISTARVYEVGPNGIICPDEPADRPVDHESAQ
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| BDBM11639 |
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| BDBM10856 |
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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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