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Target
C-8 sterol isomerase ERG2
Ligand
BDBM50170642
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
170±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:
BDBM50170642
Synonyms:
CHEMBL365722 | N-(2-Benzhydrylsulfanyl-ethyl)-N'-[2-(1H-imidazol-4-yl)-ethyl]-guanidine
Type:
Small organic molecule
Emp. Form.:
C21H25N5S
Mol. Mass.:
379.522
SMILES:
N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
Structure:
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