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Target
Prolyl endopeptidase
Ligand
BDBM50038879
Substrate
n/a
Meas. Tech.
ChEMBL_1584426 (CHEMBL3819969)
Ki
0.350000±n/a nM
Citation
 Mariaule, G; De Cesco, S; Airaghi, F; Kurian, J; Schiavini, P; Rocheleau, S; Huskic, I; Auclair, K; Mittermaier, A; Moitessier, N 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors. J Med Chem 59:4221-34 (2016) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
PE | PPCE_BOVIN | PREP | Post-proline cleaving enzyme
Type:
PROTEIN
Mol. Mass.:
80630.39
Organism:
Bos taurus
Description:
ChEMBL_632258
Residue:
710
Sequence:
MLSFQYPDVYRDETAVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCNFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVCLDPNTLSDDGTVALRGYAFSEDGEYVAYGLSASGSDWVTIKFMKVDGAKELADVLERVKFSCMAWTHDGKGMFYNAYPQQDGKSDGTETSTNLHQKLCYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLHQEPNGITGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRHSPNYRLINIDFTDPEESRWKVLVPEHEKDVLEWVACVRSNFLVLCYLHDVKNTLQLHDMATGALLKTFPLEVGSVVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVCRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGSNGGLLVATCANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDNKQHFEWLIKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSPKFIATLQHLVGRSRKQNNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNIDWIQ
  
Inhibitor
Name:
BDBM50038879
Synonyms:
(S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester | CHEMBL79993 | JTP-4819 | Z-PRO-PROLINAL
Type:
Small organic molecule
Emp. Form.:
C18H22N2O4
Mol. Mass.:
330.3783
SMILES:
O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Structure:
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