Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50155838
Substrate
n/a
Meas. Tech.
ChEMBL_306908 (CHEMBL828351)
pH
7±n/a
IC50
0.22±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:
BDBM50155838
Synonyms:
(S)-1-((S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile | (S)-1-[(S)-1-(4-Phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile | CHEMBL189620
Type:
Small organic molecule
Emp. Form.:
C20H25N3O2
Mol. Mass.:
339.4314
SMILES:
O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N
Structure:
Search PDB for entries with ligand similarity: