Reaction Details Report a problem with these data
Target
Carbonic anhydrase
Ligand
BDBM50339596
Substrate
n/a
Meas. Tech.
ChEMBL_736724 (CHEMBL1695105)
Ki
700±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
More Info.:
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:
BDBM50339596
Synonyms:
4,4'-((1R,2S,3R,4S)-3,4-dimethylcyclobutane-1,2-diyl)bis(2-methoxyphenol) | 8beta,8'beta-dimethyl-7alpha,7'alpha-bis(3-methoxy-4-hydroxyphenyl)cyclobutane | CHEMBL517222 | endiandrin B
Type:
Small organic molecule
Emp. Form.:
C20H24O4
Mol. Mass.:
328.4022
SMILES:
COc1cc(ccc1O)[C@H]1[C@H](C)[C@H](C)[C@H]1c1ccc(O)c(OC)c1 |r|