Reaction Details Report a problem with these data
Target
Delta(7)-sterol 5(6)-desaturase
Ligand
BDBM50055275
Substrate
n/a
Meas. Tech.
ChEMBL_260 (CHEMBL615701)
IC50
80000±n/a nM
Citation
 Goldstein, AS; Frye, LL Synthesis and bioevaluation of delta 7-5-desaturase inhibitors, an enzyme late in the biosynthesis of the fungal sterol ergosterol. J Med Chem 39:5092-9 (1997) [PubMed]  Article 
Target
Name:
Delta(7)-sterol 5(6)-desaturase
Synonyms:
ERG3 | ERG3_CANAX | Sterol-C5-desaturase
Type:
PROTEIN
Mol. Mass.:
45449.27
Organism:
Candida albicans
Description:
ChEMBL_10249
Residue:
386
Sequence:
MDIVLEICDYYLFDKVYADVFPKDGAVHEFLKPAIQSFSQIDFPSLPNLDSFDTNSTLISSNNFNISNVNPATIPSYLFSKIASYQDKSEIYGLAPKFFPATDFINTSFLARSNIFRETLSLFIITTIFGWLLYFIVAYLSYVFVFDKKIFNHPRYLKNQMSLEIKRATTAIPVMVLLTIPFFLLELNGYSFLYLDINECTGGYKAILWQIPKFILFTDCGIYFLHRWLHWPSVYKVLHKPHHKWIVCTPFASHAFHPVDGFFQSLPYHLYPLLFPLHKVLYLFLFTFVNFWTVMIHDGSYWSNDPVVNGTACHTVHHLYFNYNYGQFTTLWDRLGNSYRRPDDSLFVKDVKAEEEKKIWKEQTRKMEEIRGEVEGKVDDREYVEQ
  
Inhibitor
Name:
BDBM50055275
Synonyms:
(4aR,6S,8aR)-4a-Mercapto-8a-methyl-1,2,4,4a,5,6,7,8,8a,8b-decahydro-cyclobuta[a]naphthalen-6-ol | CHEMBL150225
Type:
Small organic molecule
Emp. Form.:
C13H20OS
Mol. Mass.:
224.362
SMILES:
C[C@]12CC[C@H](O)C[C@]1(S)CC=C1CCC21 |t:11|
Structure:
Search PDB for entries with ligand similarity: