Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50159796
Substrate
n/a
Meas. Tech.
ChEMBL_562668 (CHEMBL1011827)
Ki
61600±n/a nM
Citation
 Innocenti, A; Hall, RA; Schlicker, C; Mühlschlegel, FA; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of the beta-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with aliphatic and aromatic carboxylates. Bioorg Med Chem 17:2654-7 (2009) [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:
BDBM50159796
Synonyms:
2,3,5,6-F4-Benzoate | CHEMBL368444 | Sodium; 2,3,5,6-tetrafluoro-benzoate | sodium 2,3,5,6-tetrafluorobenzoate
Type:
Small organic molecule
Emp. Form.:
C7HF4O2
Mol. Mass.:
193.0758
SMILES:
[O-]C(=O)c1c(F)c(F)cc(F)c1F
Structure:
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