Reaction Details Report a problem with these data
Target
C-8 sterol isomerase ERG2
Ligand
BDBM50003027
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
0.40±n/a nM
Citation
 Laggner, C; Schieferer, C; Fiechtner, B; Poles, G; Hoffmann, RD; Glossmann, H; Langer, T; Moebius, FF Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. J Med Chem 48:4754-64 (2005) [PubMed]  Article 
Target
Name:
C-8 sterol isomerase ERG2
Synonyms:
C-8 sterol isomerase | Delta-8--delta-7 sterol isomerase | ERG2 | ERG2_YEAST
Type:
PROTEIN
Mol. Mass.:
24892.29
Organism:
Saccharomyces cerevisiae
Description:
ChEMBL_303390
Residue:
222
Sequence:
MKFFPLLLLIGVVGYIMNVLFTTWLPTNYMFDPKTLNEICNSVISKHNAAEGLSTEDLLQDVRDALASHYGDEYINRYVKEEWVFNNAGGAMGQMIILHASVSEYLILFGTAVGTEGHTGVHFADDYFTILHGTQIAALPYATEAEVYTPGMTHHLKKGYAKQYSMPGGSFALELAQGWIPCMLPFGFLDTFSSTLDLYTLYRTVYLTARDMGKNLLQNKKF
  
Inhibitor
Name:
BDBM50003027
Synonyms:
(4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(1,5,9-trimethyl-decyl)-decahydro-isoquinolin-6-ol | 5,8a-Dimethyl-2-(1,5,9-trimethyl-decyl)-decahydro-isoquinolin-6-ol | CHEMBL17470
Type:
Small organic molecule
Emp. Form.:
C24H47NO
Mol. Mass.:
365.6361
SMILES:
CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Structure:
Search PDB for entries with ligand similarity: