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Target
Prolyl endopeptidase
Ligand
BDBM50051486
Substrate
n/a
Meas. Tech.
ChEMBL_158381 (CHEMBL769582)
IC50
5±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:
PPCE_RAT | Prep
Type:
PROTEIN
Mol. Mass.:
80731.99
Organism:
Rattus norvegicus
Description:
ChEMBL_1336163
Residue:
710
Sequence:
MLSFQYPDVYRDETSVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNTLSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFTCMAWTHDGKGMFYNSYPQQDGKSDGTETSTNLHQKLCYHVLGTDQSEDVLCAEFPDEPKWMGGAELSDDGRYVLLSIWEGCDPVNRLWYCDLQQGSNGINGILKWVKLIDNFEGEYDYITNEGTVFTFKTNRNSPNYRLINIDFTDPDESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLRNVKNILQLHDLTTGALLKTFPLDVGSVVGYSGRKKDSEIFYQFTSFLSPGVIYHCDLTREELEPRVFREVTVKGIDASDYQTIQVFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTTSKRLTINGGSNGGLLVAACANQRPDLFGCVIAQVGVMDMLKFHKFTIGHAWTTDYGCSDSKQHFEWLLKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQSNPLLIHVDTKAGHGPGKPTAKVIEEVSDMFAFIARCLNIEWIQ
  
Inhibitor
Name:
BDBM50051486
Synonyms:
((1R,2S)-2-Naphthalen-2-yl-cyclopropyl)-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone | CHEMBL76754
Type:
Small organic molecule
Emp. Form.:
C26H30N2O2
Mol. Mass.:
402.5286
SMILES:
O=C([C@@H]1C[C@@H]1c1ccc2ccccc2c1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,22.27,4.5,(11.04,-7.7,;9.71,-8.47,;9.71,-10.01,;8.94,-11.35,;10.48,-11.34,;11.81,-12.11,;11.81,-13.65,;13.14,-14.4,;14.47,-13.63,;15.8,-14.4,;17.13,-13.61,;17.13,-12.07,;15.78,-11.32,;14.47,-12.09,;13.14,-11.32,;8.38,-7.7,;7.05,-8.45,;7.75,-6.3,;6.26,-6.7,;7.05,-5.37,;5.72,-6.16,;5.72,-7.7,;8.38,-6.16,;9.71,-5.39,;11.04,-6.17,;9.71,-3.85,;10.97,-2.95,;10.48,-1.45,;8.97,-1.48,;8.48,-2.94,)|
Structure:
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