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Target
Cholesteryl ester transfer protein
Ligand
BDBM234655
Substrate
n/a
Meas. Tech.
In Vitro Radioactive Assays of CETP-Catalyzed CE and TG Transfer (RTA Assay)
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
33±n/a nM
Comments
extracted
Citation
 Acton, III, JJ; Ye, F; Vachal, P; Sha, D; Dropinski, JF; Chu, L; Ondeyka, D; Kim, AJ; Colandrea, VJ; Zang, Y; Zhang, F; Dong, G Cyclic amine substituted heterocyclic CETP inhibitors US Patent  US9353101 Publication Date 5/31/2016
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:
BDBM234655
Synonyms:
US9353101, 51
Type:
Small organic molecule
Emp. Form.:
C32H26F7N5O4S
Mol. Mass.:
709.634
SMILES:
C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1sc(nc1C)-c1ccc(cc1C)C(O)=O)N1CC(F)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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