Target
Cholesteryl ester transfer protein
Ligand
BDBM50516398
Substrate
n/a
Meas. Tech.
ChEMBL_1865110 (CHEMBL4366085)
IC50
3.0±n/a nM
Citation
 Finlay, HJJiang, JRampulla, RSalvati, MEQiao, JXWang, TCLawrence, RMHarikrishnan, LSKamau, MGTaylor, DSChen, AYAYin, XHuang, CSChang, MChen, XQSleph, PGXu, CLi, JLevesque, PAdam, LPWexler, RR Discovery of a Lead Triphenylethanamine Cholesterol Ester Transfer Protein (CETP) Inhibitor. ACS Med Chem Lett 10:911-916 (2019) [PubMed]  Article 
Target
Name:
Cholesteryl ester transfer protein
Synonyms:
CETP | CETP_HUMAN | Cholesteryl ester transfer protein (CETP) | Lipid transfer protein I
Type:
Enzyme
Mol. Mass.:
54751.53
Organism:
Homo sapiens (Human)
Description:
P11597
Residue:
493
Sequence:
MLAATVLTLALLGNAHACSKGTSHEAGIVCRITKPALLVLNHETAKVIQTAFQRASYPDITGEKAMMLLGQVKYGLHNIQISHLSIASSQVELVEAKSIDVSIQNVSVVFKGTLKYGYTTAWWLGIDQSIDFEIDSAIDLQINTQLTCDSGRVRTDAPDCYLSFHKLLLHLQGEREPGWIKQLFTNFISFTLKLVLKGQICKEINVISNIMADFVQTRAASILSDGDIGVDISLTGDPVITASYLESHHKGHFIYKNVSEDLPLPTFSPTLLGDSRMLYFWFSERVFHSLAKVAFQDGRLMLSLMGDEFKAVLETWGFNTNQEIFQEVVGGFPSQAQVTVHCLKMPKISCQNKGVVVNSSVMVKFLFPRPDQQHSVAYTFEEDIVTTVQASYSKKKLFLSLLDFQITPKTVSNLTESSSESVQSFLQSMITAVGIPEVMSRLEVVFTALMNSKGVSLFDIINPEIITRDGFLLLQMDFGFPEHLLVDFLQSLS
  
Inhibitor
Name:
BDBM50516398
Synonyms:
CHEMBL4457286
Type:
Small organic molecule
Emp. Form.:
C30H26F12N2O4
Mol. Mass.:
706.5193
SMILES:
CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NC(=O)C(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Structure:
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