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Target
Cholesteryl ester transfer protein
Ligand
BDBM234668
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
271±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:
BDBM234668
Synonyms:
US9353101, 64
Type:
Small organic molecule
Emp. Form.:
C25H23F6N5O3
Mol. Mass.:
555.4722
SMILES:
C[C@H]1[C@H](OC(=O)N1Cc1nc(ncc1-c1c(C)noc1C)N1CCC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:2.28,1.0,(2.48,.16,;1.14,-.61,;.67,-2.07,;-.87,-2.07,;-1.35,-.61,;-2.68,.16,;-.1,.3,;-.1,1.84,;-1.44,2.61,;-2.77,1.84,;-4.1,2.61,;-4.1,4.15,;-2.77,4.92,;-1.44,4.15,;-.1,4.92,;-.1,6.46,;-1.44,7.23,;1.36,6.93,;2.27,5.69,;1.36,4.44,;2.13,3.11,;-5.44,1.84,;-6.91,2.23,;-7.31,.75,;-5.82,.35,;1.76,-3.16,;3.24,-2.76,;4.43,-3.86,;3.93,-5.34,;2.45,-5.74,;1.36,-4.65,;2.05,-7.23,;.56,-7.62,;1.65,-8.71,;3.38,-8,;5.92,-3.48,;7.41,-3.1,;6.3,-4.97,;5.54,-1.99,)|
Structure:
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