Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50315410
Substrate
n/a
Meas. Tech.
ChEMBL_626038 (CHEMBL1106166)
Ki
7.5±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:
BDBM50315410
Synonyms:
2-(hydrazinyl(hydroxy)methyl)-3-(perfluorophenyl)-1H-indole-5-sulfonamide | CHEMBL1092054
Type:
Small organic molecule
Emp. Form.:
C15H11F5N4O3S
Mol. Mass.:
422.33
SMILES:
NNC(O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O |(13.66,-8.76,;12.3,-8.04,;10.99,-8.85,;11.04,-10.39,;9.64,-8.13,;8.73,-9.38,;7.25,-8.9,;5.92,-9.67,;4.58,-8.9,;4.59,-7.36,;5.92,-6.59,;7.25,-7.35,;8.72,-6.87,;9.49,-5.54,;11.03,-5.54,;11.8,-6.87,;11.8,-4.2,;13.34,-4.2,;11.03,-2.87,;11.79,-1.53,;9.48,-2.88,;8.7,-1.55,;8.72,-4.21,;7.18,-4.22,;3.25,-6.59,;1.92,-7.36,;2.15,-5.49,;4.34,-5.49,)|
Structure:
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