Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM468961
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay of DPP-4
IC50
28.3±n/a nM
Citation
 Ho, KK; Quan, W; Zhou, J Pyrrolidinone compounds US Patent  US10807971 Publication Date 10/20/2020 
Target
Name:
Dipeptidyl peptidase 4
Synonyms:
Cd26 | DPP4_MOUSE | Dipeptidyl peptidase IV | Dpp4
Type:
PROTEIN
Mol. Mass.:
87433.73
Organism:
Mus musculus
Description:
ChEMBL_1335112
Residue:
760
Sequence:
MKTPWKVLLGLLGVAALVTIITVPIVLLSKDEAAADSRRTYSLADYLKSTFRVKSYSLWWVSDFEYLYKQENNILLLNAEHGNSSIFLENSTFESFGYHSVSPDRLFVLLEYNYVKQWRHSYTASYNIYDVNKRQLITEEKIPNNTQWITWSPEGHKLAYVWKNDIYVKVEPHLPSHRITSTGEENVIYNGITDWVYEEEVFGAYSALWWSPNNTFLAYAQFNDTGVPLIEYSFYSDESLQYPKTVWIPYPKAGAVNPTVKFFIVNIDSLSSSSSAAPIQIPAPASVARGDHYLCDVVWATEERISLQWLRRIQNYSVMAICDYDKINLTWNCPSEQQHVEMSTTGWVGRFRPAEPHFTSDGSSFYKIISDKDGYKHICHFPKDKKDCTFITKGAWEVISIEALTSDYLYYISNQYKEMPGGRNLYKIQLTDHTNVKCLSCDLNPERCQYYAVSFSKEAKYYQLGCWGPGLPLYTLHRSTDHKELRVLEDNSALDRMLQDVQMPSKKLDFIVLNETRFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADASFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTLEVEDQIEAARQFVKMGFVDSKRVAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPIPEDNLDHYRNSTVMSRAEHFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQAMWYTDEDHGIASSTAHQHIYSHMSHFLQQCFSLH
  
Inhibitor
Name:
BDBM468961
Synonyms:
(3S)-1-[6-[4-[(3S,5S,6R)-5-Amino-6-(2,5-difluorophenyl)tetrahydropyran-3-yl]piperazin-1-yl]-3-pyridyl]-N-[(3-chloro-5-fluoro-phenyl)methyl]-3-hydroxy-2-oxo-pyrrolidine-3-carboxamide, hydrochloride | US10807971, Example 5
Type:
Small organic molecule
Emp. Form.:
C32H34ClF3N6O4
Mol. Mass.:
659.098
SMILES:
N[C@H]1C[C@H](CO[C@@H]1c1cc(F)ccc1F)N1CCN(CC1)c1ccc(cn1)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O |r|
Structure:
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