Reaction Details Report a problem with these data
Target
Cholesteryl ester transfer protein
Ligand
BDBM264523
Substrate
n/a
Meas. Tech.
Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)
IC50
345±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:
BDBM264523
Synonyms:
7-[3,5- bis(trifluoromethyl)phenyl]- 4-({2-(dimethylamino)-5-[4- fluoro-2-methoxy-5-(1- methylethyl)phenyl] pyrimidin-4-yl} methyl)-6-oxa-4- azaspiro[2.4]heptan-5-one | US9717714, 10
Type:
Small organic molecule
Emp. Form.:
C30H29F7N4O3
Mol. Mass.:
626.5651
SMILES:
COc1cc(F)c(cc1-c1cnc(nc1CN1C(=O)OC(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C11CC1)N(C)C)C(C)C
Structure:
Search PDB for entries with ligand similarity: