Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50005864
Substrate
n/a
Meas. Tech.
ChEMBL_1336163 (CHEMBL3241123)
Ki
0.950000±n/a nM
Citation
 Kallinen, A; Todorov, B; Kallionpää, R; Bäck, S; Sarparanta, M; Raki, M; García-Horsman, JA; Bergström, KA; Wallén, EA; Männistö, PT; Airaksinen, AJ Synthesis and biological evaluation of novel (123)I-labeled 4-(4-iodophenyl)butanoyl-L-prolyl-(2S)-pyrrolidines for imaging prolyl oligopeptidase in vivo. Eur J Med Chem 79:436-45 (2014) [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:
BDBM50005864
Synonyms:
CHEMBL3236270
Type:
Small organic molecule
Emp. Form.:
C23H34N2O2S
Mol. Mass.:
401.594
SMILES:
CC(C)c1ccc(C(=O)c2ccco2)c(SCCCCCCCCN(C)[11CH3])n1
Structure:
Search PDB for entries with ligand similarity: