Reaction Details Report a problem with these data
Target
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
Ligand
BDBM50010618
Substrate
n/a
Meas. Tech.
ChEMBL_303691 (CHEMBL829736)
Ki
2200±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:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase
Synonyms:
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase/Delta(24)-sterol reductase | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase | Anti-estrogen binding site (AEBS) | Cholestenol Delta-isomerase | D8-D7 sterol isomerase | Delta(8)-Delta(7) sterol isomerase | EBP | EBP_HUMAN | Emopamil-binding protein
Type:
PROTEIN
Mol. Mass.:
26358.51
Organism:
Homo sapiens (Human)
Description:
ChEMBL_873432
Residue:
230
Sequence:
MTTNAGPLHPYWPQHLRLDNFVPNDRPTWHILAGLFSVTGVLVVTTWLLSGRAAVVPLGTWRRLSLCWFAVCGFIHLVIEGWFVLYYEDLLGDQAFLSQLWKEYAKGDSRYILGDNFTVCMETITACLWGPLSLWVVIAFLRQHPLRFILQLVVSVGQIYGDVLYFLTEHRDGFQHGELGHPLYFWFYFVFMNALWLVLPGVLVLDAVKHLTHAQSTLDAKATKAKSKKN
  
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
Structure:
Search PDB for entries with ligand similarity: