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Target
Prolyl endopeptidase
Ligand
BDBM50312223
Substrate
n/a
Meas. Tech.
ChEMBL_1584430 (CHEMBL3819973)
IC50
2000±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 | 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:
BDBM50312223
Synonyms:
(2R,5S,7R)-1-Aza-7-benzyloxycarbonylamino-8-oxo-4-thiabicyclo[3.3.0]octane-2-carbonitrile | CHEMBL1079474
Type:
Small organic molecule
Emp. Form.:
C15H15N3O3S
Mol. Mass.:
317.363
SMILES:
O=C(N[C@@H]1C[C@@H]2SC[C@@H](C#N)N2C1=O)OCc1ccccc1 |r|
Structure:
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