Reaction Details  Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50508978
Substrate
n/a
Meas. Tech.
ChEMBL_1836618 (CHEMBL4336751)
Ki
170±n/a nM
Citation
 Plescia, J; De Cesco, S; Patrascu, MB; Kurian, J; Di Trani, J; Dufresne, C; Wahba, AS; Janmamode, N; Mittermaier, AK; Moitessier, N Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein ?. J Med Chem 62:7874-7884 (2019) [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:
BDBM50508978
Synonyms:
CHEMBL4462021
Type:
Small organic molecule
Emp. Form.:
C21H18FN3O2
Mol. Mass.:
363.3849
SMILES:
F[C@H]1C[C@@H](C#N)N(C1)C(=O)c1cccc2CN(Cc3ccccc3)C(=O)c12 |r|
Structure:
Search PDB for entries with ligand similarity: