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Target
Prolyl endopeptidase
Ligand
BDBM50051488
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:
BDBM50051488
Synonyms:
((1R,2S)-2-Phenyl-cyclopropyl)-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone | CHEMBL80499
Type:
Small organic molecule
Emp. Form.:
C22H28N2O2
Mol. Mass.:
352.4699
SMILES:
O=C([C@@H]1C[C@@H]1c1ccccc1)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:2.1,18.22,4.5,(12.37,-7.7,;11.04,-8.47,;11.04,-9.99,;10.27,-11.35,;11.81,-11.34,;13.14,-12.11,;13.14,-13.65,;14.47,-14.4,;15.8,-13.63,;15.8,-12.09,;14.47,-11.32,;9.71,-7.7,;8.38,-8.45,;7.05,-7.7,;7.05,-6.16,;8.38,-5.37,;7.61,-6.7,;9.08,-6.3,;9.71,-6.16,;11.04,-5.39,;12.37,-6.17,;11.06,-3.85,;9.82,-2.94,;10.3,-1.48,;11.81,-1.45,;12.3,-2.95,)|
Structure:
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