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Target
Prolyl endopeptidase
Ligand
BDBM50170715
Substrate
n/a
Meas. Tech.
ChEMBL_306908 (CHEMBL828351)
pH
7±n/a
IC50
4.2±n/a nM
Comments
extracted
Citation
 Jarho, EM; Wallén, EA; Christiaans, JA; Forsberg, MM; Venäläinen, JI; Männistö, PT; Gynther, J; Poso, A Dicarboxylic acid azacycle l-prolyl-pyrrolidine amides as prolyl oligopeptidase inhibitors and three-dimensional quantitative structure-activity relationship of the enzyme-inhibitor interactions. J Med Chem 48:4772-82 (2005) [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:
BDBM50170715
Synonyms:
(S)-1-{(S)-1-[3-((S)-2-Acetyl-pyrrolidine-1-carbonyl)-benzoyl]-pyrrolidine-2-carbonyl}-pyrrolidine-2-carbonitrile | CHEMBL187830
Type:
Small organic molecule
Emp. Form.:
C24H28N4O4
Mol. Mass.:
436.5035
SMILES:
CC(=O)[C@@H]1CCCN1C(=O)c1cccc(c1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Structure:
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