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Target
Cholesteryl ester transfer protein
Ligand
BDBM50118044
Substrate
n/a
Meas. Tech.
ChEMBL_636763 (CHEMBL1167052)
IC50
390±n/a nM
Citation
 Abu Khalaf, R; Abu Sheikha, G; Bustanji, Y; Taha, MO Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration. Eur J Med Chem 45:1598-617 (2010) [PubMed]  Article 
Target
Name:
Cholesteryl ester transfer protein
Synonyms:
CETP | CETP_RABIT
Type:
PROTEIN
Mol. Mass.:
54513.38
Organism:
Oryctolagus cuniculus
Description:
ChEMBL_1504757
Residue:
497
Sequence:
ACPKGASYEAGIVCRITKPALLVLNQETAKVVQTAFQRAGYPDVSGERAVMLLGRVKYGLHNLQISHLSIASSQVELVDAKTIDVAIQNVSVVFKGTLNYSYTSAWGLGINQSVDFEIDSAIDLQINTELTCDAGSVRTNAPDCYLAFHKLLLHLQGEREPGWLKQLFTNFISFTLKLILKRQVCNEINTISNIMADFVQTRAASILSDGDIGVDISVTGAPVITATYLESHHKGHFTHKNVSEAFPLRAFPPGLLGDSRMLYFWFSDQVLNSLARAAFQEGRLVLSLTGDEFKKVLETQGFDTNQEIFQELSRGLPTGQAQVAVHCLKVPKISCQNRGVVVSSSVAVTFRFPRPDGREAVAYRFEEDIITTVQASYSQKKLFLHLLDFQCVPASGRAGSSANLSVALRTEAKAVSNLTESRSESLQSSLRSLIATVGIPEVMSRLEVAFTALMNSKGLDLFEIINPEIITLDGCLLLQMDFGFPKHLLVDFLQSLS
  
Inhibitor
Name:
BDBM50118044
Synonyms:
1,1,1-Trifluoro-3-[(3-phenoxy-phenyl)-(3-trifluoromethylsulfanyl-benzyl)-amino]-propan-2-ol | 1,1,1-trifluoro-3-((3-phenoxyphenyl)(3-(trifluoromethylthio)benzyl)amino)propan-2-ol | CHEMBL129412
Type:
Small organic molecule
Emp. Form.:
C23H19F6NO2S
Mol. Mass.:
487.458
SMILES:
OC(CN(Cc1cccc(SC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: