Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM26142
Substrate
n/a
Meas. Tech.
ChEMBL_575789 (CHEMBL939895)
Ki
412000±n/a nM
Citation
 Innocenti, A; Winum, JY; Hall, RA; Mühlschlegel, FA; Scozzafava, A; Supuran, CT Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. Bioorg Med Chem Lett 19:2642-5 (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:
BDBM26142
Synonyms:
(2-phenylethyl)boranediol | Alkylboronic Acid, 21
Type:
Small organic molecule
Emp. Form.:
C8H11BO2
Mol. Mass.:
149.983
SMILES:
OB(O)CCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: