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Target
Prolyl endopeptidase
Ligand
BDBM50051537
Substrate
n/a
Meas. Tech.
ChEMBL_158381 (CHEMBL769582)
IC50
4±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:
BDBM50051537
Synonyms:
CHEMBL80136 | [(1R,2S)-2-(4-Fluoro-phenyl)-cyclopropyl]-[(S)-3-(pyrrolidine-1-carbonyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-methanone
Type:
Small organic molecule
Emp. Form.:
C22H27FN2O2
Mol. Mass.:
370.4604
SMILES:
Fc1ccc(cc1)[C@H]1C[C@H]1C(=O)N1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 |wU:9.11,19.23,7.7,(16.51,-14.29,;15.16,-13.54,;15.16,-11.98,;13.83,-11.22,;12.49,-11.99,;12.49,-13.54,;13.83,-14.31,;11.16,-11.22,;9.62,-11.23,;10.39,-9.89,;10.39,-8.35,;11.72,-7.58,;9.06,-7.58,;7.72,-8.35,;6.39,-7.58,;6.39,-6.03,;7.72,-5.26,;6.94,-6.59,;8.43,-6.18,;9.06,-6.03,;10.39,-5.26,;11.72,-6.04,;10.4,-3.72,;9.17,-2.81,;9.64,-1.34,;11.16,-1.33,;11.65,-2.81,)|
Structure:
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