Reaction Details Report a problem with these data
Target
C-8 sterol isomerase ERG2
Ligand
BDBM50170638
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
2800±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:
BDBM50170638
Synonyms:
(2-Heptyloxy-phenyl)-carbamic acid 2-diethylamino-1-methyl-ethyl ester | CHEMBL188044
Type:
Small organic molecule
Emp. Form.:
C21H36N2O3
Mol. Mass.:
364.5221
SMILES:
CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC
Structure:
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