Reaction Details Report a problem with these data
Target
C-8 sterol isomerase ERG2
Ligand
BDBM50065941
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
232±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:
BDBM50065941
Synonyms:
1-{2-[4-(6-Methoxy-2-phenyl-3,4-dihydro-naphthalen-1-yl)-phenoxy]-ethyl}-pyrrolidine | CHEMBL28211
Type:
Small organic molecule
Emp. Form.:
C29H31NO2
Mol. Mass.:
425.5619
SMILES:
COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6|
Structure:
Search PDB for entries with ligand similarity: