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Target
Cholesteryl ester transfer protein
Ligand
BDBM50578749
Substrate
n/a
Meas. Tech.
ChEMBL_2133982 (CHEMBL4843592)
IC50
49±n/a nM
Citation
 Vachal, P; Duffy, JL; Campeau, LC; Amin, RP; Mitra, K; Murphy, BA; Shao, PP; Sinclair, PJ; Ye, F; Katipally, R; Lu, Z; Ondeyka, D; Chen, YH; Zhao, K; Sun, W; Tyagarajan, S; Bao, J; Wang, SP; Cote, J; Lipardi, C; Metzger, D; Leung, D; Hartmann, G; Wollenberg, GK; Liu, J; Tan, L; Xu, Y; Chen, Q; Liu, G; Blaustein, RO; Johns, DG Invention of MK-8262, a Cholesteryl Ester Transfer Protein (CETP) Inhibitor Backup to Anacetrapib with Best-in-Class Properties. J Med Chem 64:13215-13258 (2021) [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:
BDBM50578749
Synonyms:
CHEMBL4851648
Type:
Small organic molecule
Emp. Form.:
C34H27F8N3O5
Mol. Mass.:
709.5825
SMILES:
COc1ccc(cc1-c1cnc(nc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(C)(F)F)-c1ccc(cc1C)C(O)=O |r|
Structure:
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