Reaction Details |
| Report a problem with these data |
Target | Beta-carbonic anhydrase 1 |
---|
Ligand | BDBM50258680 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_519733 (CHEMBL938996) |
---|
Ki | 30.8±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 |
---|
|
Beta-carbonic anhydrase 1 |
---|
Name: | Beta-carbonic anhydrase 1 |
Synonyms: | β-Carbonic anhydrase 1 (CA 1) | Carbonic Anhydrase (mtCA 1) | MTCA1_MYCTU | Uncharacterized protein Rv1284/MT1322 | canA | mtcA1 |
Type: | Enzyme |
Mol. Mass.: | 18186.06 |
Organism: | Mycobacterium tuberculosis |
Description: | The recombinant GST-mtCA1 construct was cloned, expressed, and further purified from E. coli. The purified protein was used in inhibition assays. |
Residue: | 163 |
Sequence: | MTVTDDYLANNVDYASGFKGPLPMPPSKHIAIVACMDARLDVYRMLGIKEGEAHVIRNAG
CVVTDDVIRSLAISQRLLGTREIILLHHTDCGMLTFTDDDFKRAIQDETGIRPTWSPESY
PDAVEDVRQSLRRIEVNPFVTKHTSLRGFVFDVATGKLNEVTP
|
|
|
BDBM50258680 |
---|
n/a |
---|
Name | BDBM50258680 |
Synonyms: | 1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(3-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL467898 |
Type | Small organic molecule |
Emp. Form. | C23H22BrN4O3S |
Mol. Mass. | 514.414 |
SMILES | Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 |
Structure |
|