Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM298359
Substrate
n/a
Meas. Tech.
POP Inhibition Assays
IC50
176±8.3 nM
Citation
 Giralt Lledó, E; Tarragó Clua, T; Prades Cosano, R; Royo Gracia, S 1- [1-(benzoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonitrile derivatives US Patent  US10125097 Publication Date 11/13/2018 
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:
BDBM298359
Synonyms:
(S)-1-((2S,4S)-1-(4-(benzyloxy)-3,5-dimethoxybenzoyl)-4-(trifluoromethyl)-pyrrolidine-2-carbonyl)pyrrolidine-2-carbonitrile | US10125097, Example 8 | US10611727, Example 8
Type:
Small organic molecule
Emp. Form.:
C27H28F3N3O5
Mol. Mass.:
531.5235
SMILES:
COc1cc(cc(OC)c1OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(=O)N1CCC[C@H]1C#N)C(F)(F)F |r|
Structure:
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