Target
Prolyl endopeptidase
Ligand
BDBM50393842
Substrate
n/a
Meas. Tech.
ChEMBL_855075 (CHEMBL2160637)
IC50
640±n/a nM
Citation
 De Cesco, SDeslandes, STherrien, ELevan, DCueto, MSchmidt, RCantin, LDMittermaier, AJuillerat-Jeanneret, LMoitessier, N Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells. J Med Chem 55:6306-15 (2012) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
PE | PEP | POP | PPCE_HUMAN | PREP | Post-proline cleaving enzyme | Prolyl oligopeptidase
Type:
Enzyme
Mol. Mass.:
80688.50
Organism:
Homo sapiens (Human)
Description:
P48147
Residue:
710
Sequence:
MLSLQYPDVYRDETAVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTHDGKGMFYNSYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLQQESSGIAGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRQSPNYRVINIDFRDPEESKWKVLVPEHEKDVLEWIACVRSNFLVLCYLHDVKNILQLHDLTTGALLKTFPLDVGSIVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGILAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGSNGGLLVAACANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDSKQHFEWLVKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQSNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNVDWIP
  
Inhibitor
Name:
BDBM50393842
Synonyms:
CHEMBL2159749
Type:
Small organic molecule
Emp. Form.:
C20H20N2O2
Mol. Mass.:
320.385
SMILES:
O=C(N1CCCC1)c1cccc2CN(Cc3ccccc3)C(=O)c12
Structure:
Search PDB for entries with ligand similarity: