Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50339599
Substrate
n/a
Meas. Tech.
ChEMBL_736724 (CHEMBL1695105)
Ki
720±n/a nM
Citation
 Davis, RA; Hofmann, A; Osman, A; Hall, RA; Mühlschlegel, FA; Vullo, D; Innocenti, A; Supuran, CT; Poulsen, SA Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases. J Med Chem 54:1682-92 (2011) [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:
BDBM50339599
Synonyms:
2-(3-chloro-4-hydroxyphenyl)-N-(3-methoxyphenethyl)acetamide | CHEMBL589606
Type:
Small organic molecule
Emp. Form.:
C17H18ClNO3
Mol. Mass.:
319.783
SMILES:
COc1cccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)c1
Structure:
Search PDB for entries with ligand similarity: