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Target
Cholesteryl ester transfer protein
Ligand
BDBM50250366
Substrate
n/a
Meas. Tech.
ChEBML_1681594
IC50
62±n/a nM
Citation
 Yamada, K; Brousseau, M; Honma, W; Iimura, A; Imase, H; Iwaki, Y; Kawanami, T; LaSala, D; Liang, G; Mitani, H; Nonomura, K; Ohmori, O; Pan, M; Rigel, DF; Umemura, I; Yasoshima, K; Zhu, G; Mogi, M Discovery of a Novel Piperidine-Based Inhibitor of Cholesteryl Ester Transfer Protein (CETP) That Retains Activity in Hypertriglyceridemic Plasma. J Med Chem 60:8466-8481 (2017) [PubMed]  Article 
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:
BDBM50250366
Synonyms:
CHEMBL4075773
Type:
Small organic molecule
Emp. Form.:
C34H40F6N6O4
Mol. Mass.:
710.7096
SMILES:
CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)O[C@H]1CC[C@@H](CC1)C(O)=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)-c1cnn(C)c1 |r,wU:4.23,6.6,2.1,13.13,wD:16.20,(37.57,-12.9,;38.91,-13.68,;40.24,-12.9,;40.24,-11.36,;41.57,-10.59,;42.9,-11.36,;42.9,-12.9,;44.24,-13.68,;45.57,-12.9,;41.57,-13.67,;41.57,-15.21,;40.24,-15.97,;42.91,-15.97,;42.91,-17.51,;44.24,-18.28,;44.23,-19.82,;42.89,-20.59,;41.56,-19.82,;41.57,-18.28,;42.89,-22.13,;41.55,-22.9,;44.22,-22.91,;41.57,-9.05,;40.24,-8.27,;40.24,-6.73,;41.58,-5.97,;41.58,-4.43,;40.24,-3.66,;38.9,-4.44,;38.91,-5.98,;37.57,-3.67,;37.56,-2.13,;36.23,-4.45,;36.23,-2.9,;42.91,-3.66,;44.25,-4.44,;42.91,-2.12,;44.24,-2.89,;42.9,-8.28,;44.24,-9.05,;45.57,-8.28,;45.57,-6.74,;44.23,-5.97,;42.9,-6.74,;46.9,-5.97,;48.3,-6.59,;49.34,-5.45,;48.56,-4.11,;49.19,-2.71,;47.05,-4.44,)|
Structure:
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