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Target
C-8 sterol isomerase ERG2
Ligand
BDBM71545
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
2±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:
BDBM71545
Synonyms:
2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;2-oxidanylpropane-1,2,3-tricarboxylic acid | 2-[4-[(Z)-2-chloro-1,2-diphenyl-vinyl]phenoxy]ethyl-diethyl-amine;citric acid | 2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL167779 | Clomiphene citrate salt | Clomiphene, 2 | MLS001332630 | SMR000875221 | cid_3033832
Type:
Small organic molecule
Emp. Form.:
C26H28ClNO
Mol. Mass.:
405.96
SMILES:
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
Structure:
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