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Target
Prolyl endopeptidase
Ligand
BDBM50051521
Substrate
n/a
Meas. Tech.
ChEMBL_158375 (CHEMBL769576)
IC50
>100000±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:
BDBM50051521
Synonyms:
1-[3-(Imidazole-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-4-phenyl-butan-1-one | CHEMBL309781
Type:
Small organic molecule
Emp. Form.:
C21H25N3O2
Mol. Mass.:
351.4421
SMILES:
O=C(CCCc1ccccc1)N1C2CCC(CC2)C1C(=O)n1ccnc1 |(2.01,-12.58,;.68,-13.35,;.68,-14.89,;-.65,-15.66,;-.67,-17.2,;-2,-17.97,;-1.98,-19.51,;-3.33,-20.28,;-4.66,-19.51,;-4.66,-17.97,;-3.33,-17.2,;-.65,-12.58,;-1.98,-13.35,;-3.31,-12.58,;-3.31,-11.04,;-1.98,-10.27,;-2.77,-11.6,;-1.28,-11.2,;-.65,-11.04,;.68,-10.27,;2.01,-11.06,;.68,-8.73,;-.58,-7.8,;-.09,-6.35,;1.45,-6.38,;1.91,-7.85,)|
Structure:
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