Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50051487
Substrate
n/a
Meas. Tech.
ChEMBL_158375 (CHEMBL769576)
IC50
9±n/a nM
Citation
 Portevin, B; Benoist, A; Rémond, G; Hervé, Y; Vincent, M; Lepagnol, J; De Nanteuil, G New prolyl endopeptidase inhibitors: in vitro and in vivo activities of azabicyclo[2.2.2]octane, azabicyclo[2.2.1]heptane, and perhydroindole derivatives. J Med Chem 39:2379-91 (1996) [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:
BDBM50051487
Synonyms:
5,5-Dicyclopropyl-1-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-pentan-1-one | CHEMBL76303
Type:
Small organic molecule
Emp. Form.:
C23H36N2O2
Mol. Mass.:
372.5441
SMILES:
O=C(CCCC(C1CC1)C1CC1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:19.23,(4.28,.47,;2.94,-.29,;2.93,-1.85,;1.6,-2.62,;1.59,-4.16,;.26,-4.93,;-1.08,-5.7,;-1.84,-7.04,;-2.61,-5.69,;1.59,-5.7,;2.36,-7.04,;3.13,-5.69,;1.6,.47,;.27,-.29,;-1.05,.47,;-1.05,2.01,;.27,2.78,;-.51,1.45,;.98,1.86,;1.6,2.01,;2.94,2.78,;4.28,2,;2.94,4.32,;1.71,5.24,;2.18,6.7,;3.72,6.71,;4.19,5.23,)|
Structure:
Search PDB for entries with ligand similarity: