Ki Summary

Reaction Details

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Target

Beta-carbonic anhydrase 1

Ligand

BDBM50258636

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_519733 (CHEMBL938996)

25.1±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:

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

BDBM50258636

n/a

Name

BDBM50258636

Synonyms:

1-(3-(2-chlorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate | 1-({[5-(Aminosulfonyl)-3-(2-fluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | CHEMBL513835

Type

Small organic molecule

Emp. Form.

C23H22ClN4O3S

Mol. Mass.

469.963

SMILES

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2Cl)S(N)(=O)=O)c(C)c1 |(7.6,-34.02,;6.06,-34.02,;5.28,-32.69,;3.75,-32.69,;2.97,-31.36,;2.99,-34.02,;1.45,-34.02,;.68,-35.36,;1.45,-36.69,;-.86,-35.36,;-1.77,-36.61,;-3.25,-36.13,;-4.58,-36.9,;-5.92,-36.13,;-5.91,-34.59,;-4.58,-33.82,;-3.25,-34.58,;-1.77,-34.1,;-1.3,-32.64,;.21,-32.32,;.69,-30.86,;-.35,-29.71,;-1.86,-30.04,;-2.33,-31.5,;-3.83,-31.83,;-7.25,-33.82,;-8.59,-33.05,;-6.48,-32.48,;-8.01,-35.15,;3.75,-35.36,;2.98,-36.69,;5.29,-35.36,)|

Structure