Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50399734
Substrate
n/a
Meas. Tech.
ChEMBL_876941 (CHEMBL2185389)
IC50
33±n/a nM
Citation
 Van der Veken, P; Fülöp, V; Rea, D; Gerard, M; Van Elzen, R; Joossens, J; Cheng, JD; Baekelandt, V; De Meester, I; Lambeir, AM; Augustyns, K P2-substituted N-acylprolylpyrrolidine inhibitors of prolyl oligopeptidase: biochemical evaluation, binding mode determination, and assessment in a cellular model of synucleinopathy. J Med Chem 55:9856-67 (2012) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
3.4.21.26 | PE | PPCE_PIG | PREP | Post-proline cleaving enzyme
Type:
n/a
Mol. Mass.:
80758.04
Organism:
Sus scrofa
Description:
n/a
Residue:
710
Sequence:
MLSFQYPDVYRDETAIQDYHGHKVCDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTHDGKGMFYNAYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLQQESNGITGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRHSPNYRLINIDFTDPEESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLHDVKNTLQLHDLATGALLKIFPLEVGSVVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGSNGGLLVATCANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDSKQHFEWLIKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQNNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNIDWIP
  
Inhibitor
Name:
BDBM50399734
Synonyms:
CHEMBL2178963
Type:
Small organic molecule
Emp. Form.:
C27H30FN5O2
Mol. Mass.:
475.5578
SMILES:
Fc1ccc(cc1)-c1cn(nn1)[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: