Reaction Details Report a problem with these data
Target
C-8 sterol isomerase ERG2
Ligand
BDBM50010618
Substrate
n/a
Meas. Tech.
ChEMBL_303390 (CHEMBL839961)
Ki
1200±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
More Info.:
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:
BDBM50010618
Synonyms:
(+)-3-(1-Propyl-piperidin-3-yl)-phenol | 3-((R)-1-Propyl-piperidin-3-yl)-phenol | 3-(1-Propyl-piperidin-3-yl)-phenol | 3PPP,(-) | CHEMBL7393 | cid_202478
Type:
Small organic molecule
Emp. Form.:
C14H21NO
Mol. Mass.:
219.3226
SMILES:
CCCN1CCC[C@@H](C1)c1cccc(O)c1