Ki Summary

Reaction Details

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Target

Carbonic anhydrase

Ligand

BDBM50258714

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_626038 (CHEMBL1106166)

62±n/a nM

Citation

Güzel, O; Maresca, A; Hall, RA; Scozzafava, A; Mastrolorenzo, A; Mühlschlegel, FA; Supuran, CT Carbonic anhydrase inhibitors. The beta-carbonic anhydrases from the fungal pathogens Cryptococcus neoformans and Candida albicans are strongly inhibited by substituted-phenyl-1H-indole-5-sulfonamides. Bioorg Med Chem Lett20:2508-11 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Carbonic anhydrase

Name:

Carbonic anhydrase

Synonyms:

CAN_CANAL | NCE103 | beta-Carbonic Anhydrase

Type:

Enzyme

Mol. Mass.:

31587.59

Organism:

Candida albicans (Yeast)

Description:

n/a

Residue:

281

Sequence:

MGRENILKYQLEHDHESDLVTEKDQSLLLDNNNNLNGMNNTIKTHPVRVSSGNHNNFPFT
LSSESTLQDFLNNNKFFVDSIKHNHGNQIFDLNGQGQSPHTLWIGCSDSRAGDQCLATLP
GEIFVHRNIANIVNANDISSQGVIQFAIDVLKVKKIIVCGHTDCGGIWASLSKKKIGGVL
DLWLNPVRHIRAANLKLLEEYNQDPKLKAKKLAELNVISSVTALKRHPSASVALKKNEIE
VWGMLYDVATGYLSQVEIPQDEFEDLFHVHDEHDEEEYNPH

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