Reaction Details |
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Target | Carbonic anhydrase |
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Ligand | BDBM13063 |
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Substrate/Competitor | BDBM10856 |
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Meas. Tech. | CA Inhibition Assay |
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Ki | 7810±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 |
Synonyms: | Carbonic Anhydrase (mtCA 3) | Probable transmembrane carbonic anhydrase |
Type: | Enzyme |
Mol. Mass.: | 69636.39 |
Organism: | Mycobacterium tuberculosis |
Description: | R4ML78 |
Residue: | 655 |
Sequence: | MTIAAGALQIVFGLSRMARAALAIAPVVVHAMLAGIGITIALQQIHVLLGGTSHSSAWRN
IVALPDGILHHELHEVIVGGTVIAILLMWSKLPAKVRIIPGPLVAIAGATVLALLPVLQT
ERIDLQGNFFDAIGLPKLAEMSPGGQPWSHEISAIALGVLTIALIASVESLLSAVGVDKL
HHGPRTDFNREMVGQGSANVVSGLLGGLPITGVIVRSSANVAAGARTRMSTILHGVWILL
FASLFTNLVELIPKAALAGLLIVIGAQLVKLAHIKLAWRTGNFVIYAITIVCVVFLNLLE
GVAIGLVVAIVFLLVRVVRAPVEVKPVGGEQSKRWRVDIDGTLSFLLLPRLTTVLSKLPE
GSEVTLNLNADYIDDSVSEAISDWRRAHETRGGVVAIVETSPAKLHHAHARPPKSHFASD
PIGLVPWRSARGKDRGSASVLDRIDEYHRNGAAVLHPHIAGLTDSQDPYELFLTCADSRI
LPNVITASGPGDLYTVRNLGNLVPTDPDDRSVDAALDFAVNQLGVSSVVVCGHSSCAAMT
ALLEDDPANTTTPMMRWLENAHDSLVVFRNHHPARRSAESAGYPEADQLSIVNVAVQVER
LTRHPILATAVAAADLQVIGIFFDISTARVYEVGPNGIICPDEPADRPVDHESAQ
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BDBM13063 |
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BDBM10856 |
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Name | BDBM13063 |
Synonyms: | 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide | Bextra | CHEMBL865 | VLX | Valdecoxib | cid_119607 |
Type | Small organic molecule |
Emp. Form. | C16H14N2O3S |
Mol. Mass. | 314.359 |
SMILES | Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1 |
Structure |
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