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Target
Cholesteryl ester transfer protein
Ligand
BDBM264527
Substrate
n/a
Meas. Tech.
Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)
IC50
561±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:
BDBM264527
Synonyms:
3'-[4-({(8R)-8-[3,5- bis(trifluoromethyl)phenyl]- 6-oxo-7-oxa-5- azaspiro[3.4]oct-5- yl}methyl)-2-[methyl (methylsulfonyl)amino] pyrimidin-5-yl}-4'- methoxy-2-methylbiphenyl- 4-carboxylic acid | US9717714, 14
Type:
Small organic molecule
Emp. Form.:
C36H32F6N4O7S
Mol. Mass.:
778.717
SMILES:
COc1ccc(cc1-c1cnc(nc1CN1C(=O)O[C@H](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CCC1)N(C)S(C)(=O)=O)-c1ccc(cc1C)C(O)=O |r|
Structure:
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