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Target
Cholesteryl ester transfer protein
Ligand
BDBM264530
Substrate
n/a
Meas. Tech.
Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)
IC50
596±n/a nM
Citation
 Ondeyka, D; Qian, X; Vachal, P; Tyagarajan, S; Smith, CJ; Li, H; Bao, J Spirocyclic CETP inhibitors US Patent  US9717714 Publication Date 8/1/2017 
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:
BDBM264530
Synonyms:
US9717714, 18 | methyl 3'-[4-({(7R)-7-[3,5- bis(trifluoromethyl)phenyl]- 5-oxo-6-oxa-4- azaspiro[2.4]hept-4- yl}methyl)-2- (methylsulfanyl)pyrimidin-5- yl]-4'-methoxy-2- methylbiphenyl-4- carboxylate
Type:
Small organic molecule
Emp. Form.:
C35H29F6N3O5S
Mol. Mass.:
717.677
SMILES:
COC(=O)c1ccc(c(C)c1)-c1ccc(OC)c(c1)-c1cnc(SC)nc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CC1 |r|
Structure:
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