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Target
Prolyl endopeptidase
Ligand
BDBM50504804
Substrate
n/a
Meas. Tech.
ChEMBL_1816833 (CHEMBL4316407)
Ki
6.0±n/a nM
Citation
 Plescia, J; Dufresne, C; Janmamode, N; Wahba, AS; Mittermaier, AK; Moitessier, N Discovery of covalent prolyl oligopeptidase boronic ester inhibitors. Eur J Med Chem 185:0 (2020) [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:
BDBM50504804
Synonyms:
CHEMBL4559324
Type:
Small organic molecule
Emp. Form.:
C24H33BN2O5
Mol. Mass.:
440.34
SMILES:
[H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@@H]1CCCN1C(=O)c1ccc(NC(C)=O)cc1OC |r|
Structure:
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