Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50088247
Substrate
n/a
Meas. Tech.
ChEMBL_157478 (CHEMBL765797)
IC50
10±n/a nM
Citation
 Wintner, EA; Moallemi, CC Quantized surface complementarity diversity (QSCD): a model based on small molecule-target complementarity. J Med Chem 43:1993-2006 (2000) [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:
BDBM50088247
Synonyms:
CHEMBL303966 | Oxo-{(S)-1-[(S)-1-(4-phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidin-2-yl}-acetic acid ethyl ester | Oxo-{1-[1-(4-phenyl-butyryl)-pyrrolidine-2-carbonyl]-pyrrolidin-2-yl}-acetic acid ethyl ester
Type:
Small organic molecule
Emp. Form.:
C23H30N2O5
Mol. Mass.:
414.4947
SMILES:
CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: