Ki Summary

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Target

Beta-carbonic anhydrase 1

Ligand

BDBM50258714

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_519733 (CHEMBL938996)

10.5±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

BDBM50258714

n/a

Name

BDBM50258714

Synonyms:

1-({[5-(Aminosulfonyl)-3-(2-bromophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate | 2,4,6-trimethyl-1-(5-sulfamoyl-3-o-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate | CHEMBL466234

Type

Small organic molecule

Emp. Form.

C24H25N4O3S

Mol. Mass.

449.545

SMILES

Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2C)S(N)(=O)=O)c(C)c1 |(7.26,-10.03,;5.72,-10.03,;4.94,-8.69,;3.41,-8.7,;2.63,-7.37,;2.65,-10.03,;1.11,-10.03,;.34,-11.36,;1.11,-12.69,;-1.2,-11.36,;-2.12,-12.62,;-3.59,-12.14,;-4.92,-12.91,;-6.26,-12.14,;-6.26,-10.59,;-4.93,-9.82,;-3.59,-10.59,;-2.12,-10.11,;-1.64,-8.64,;-.13,-8.33,;.34,-6.86,;-.69,-5.72,;-2.2,-6.04,;-2.67,-7.51,;-4.18,-7.83,;-7.59,-9.82,;-8.93,-9.05,;-6.82,-8.49,;-8.35,-11.16,;3.41,-11.36,;2.64,-12.7,;4.95,-11.36,)|

Structure