Reaction Details | |||
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Target | Carbonic anhydrase | ||
Ligand | BDBM50258679 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_519732 (CHEMBL938995) | ||
Ki | 38±n/a nM | ||
Citation | Güzel, O; Maresca, A; Scozzafava, A; Salman, A; Balaban, AT; Supuran, CT Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem52:4063-7 (2009) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Carbonic anhydrase | |||
Name: | Carbonic anhydrase | ||
Synonyms: | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | ||
Type: | PROTEIN | ||
Mol. Mass.: | 80567.22 | ||
Organism: | Mycobacterium tuberculosis | ||
Description: | ChEMBL_878775 | ||
Residue: | 764 | ||
Sequence: |
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BDBM50258679 | |||
n/a | |||
Name | BDBM50258679 | ||
Synonyms: | 1-(3-(2-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(2-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL467897 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H22BrN4O3S | ||
Mol. Mass. | 514.414 | ||
SMILES | Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Br)S(N)(=O)=O)c(C)c1 |(27.27,-43.91,;25.73,-43.92,;24.95,-42.58,;23.41,-42.59,;22.64,-41.25,;22.65,-43.91,;21.11,-43.91,;20.34,-45.25,;21.11,-46.58,;18.8,-45.25,;17.89,-46.5,;16.41,-46.03,;15.08,-46.8,;13.75,-46.03,;13.75,-44.48,;15.08,-43.71,;16.41,-44.47,;17.89,-43.99,;18.36,-42.53,;19.87,-42.21,;20.35,-40.75,;19.32,-39.6,;17.8,-39.93,;17.33,-41.39,;15.83,-41.72,;12.41,-43.71,;11.08,-42.94,;13.18,-42.38,;11.65,-45.05,;23.42,-45.25,;22.64,-46.58,;24.95,-45.25,)| | ||
Structure |