Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50258679
Substrate
n/a
Meas. Tech.
ChEMBL_626038 (CHEMBL1106166)
Ki
45±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 Lett 20:2508-11 (2010) [PubMed]  Article 
Target
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:
MGRENILKYQLEHDHESDLVTEKDQSLLLDNNNNLNGMNNTIKTHPVRVSSGNHNNFPFTLSSESTLQDFLNNNKFFVDSIKHNHGNQIFDLNGQGQSPHTLWIGCSDSRAGDQCLATLPGEIFVHRNIANIVNANDISSQGVIQFAIDVLKVKKIIVCGHTDCGGIWASLSKKKIGGVLDLWLNPVRHIRAANLKLLEEYNQDPKLKAKKLAELNVISSVTALKRHPSASVALKKNEIEVWGMLYDVATGYLSQVEIPQDEFEDLFHVHDEHDEEEYNPH
  
Inhibitor
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:
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