Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50338518
Substrate
n/a
Meas. Tech.
ChEMBL_728473 (CHEMBL1685350)
Ki
2.1±n/a nM
Citation
 Andrews, KM; Beebe, DA; Benbow, JW; Boyer, DA; Doran, SD; Hui, Y; Liu, S; McPherson, RK; Neagu, C; Parker, JC; Piotrowski, DW; Schneider, SR; Treadway, JL; VanVolkenberg, MA; Zembrowski, WJ 1-((3S,4S)-4-amino-1-(4-substituted-1,3,5-triazin-2-yl) pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one inhibitors of DPP-4 for the treatment of type 2 diabetes. Bioorg Med Chem Lett 21:1810-4 (2011) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 4
Synonyms:
Bile canaliculus domain-specific membrane glycoprotein | CD_antigen=CD26 | Cd26 | DPP IV | DPP4_RAT | Dipeptidyl Peptidase IV (DPP-IV) | Dipeptidyl peptidase 4 | Dipeptidyl peptidase 4 (DDPIV) | Dipeptidyl peptidase 4 60 kDa soluble form | Dipeptidyl peptidase 4 membrane form | Dipeptidyl peptidase 4 soluble form | Dipeptidyl peptidase IV | Dipeptidyl peptidase IV 60 kDa soluble form | Dipeptidyl peptidase IV membrane form | Dipeptidyl peptidase IV soluble form | Dpp4 | GP110 glycoprotein | T-cell activation antigen CD26
Type:
Enzyme
Mol. Mass.:
88084.94
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
767
Sequence:
MKTPWKVLLGLLGVAALVTIITVPVVLLNKDEAAADSRRTYTLADYLKNTFRVKSYSLRWVSDSEYLYKQENNILLFNAEHGNSSIFLENSTFEIFGDSISDYSVSPDRLFVLLEYNYVKQWRHSYTASYSIYDLNKRQLITEEKIPNNTQWITWSQEGHKLAYVWKNDIYVKIEPHLPSHRITSTGKENVIFNGINDWVYEEEIFGAYSALWWSPNGTFLAYAQFNDTGVPLIEYSFYSDESLQYPKTVWIPYPKAGAVNPTVKFFIVNTDSLSSTTTTIPMQITAPASVTTGDHYLCDVAWVSEDRISLQWLRRIQNYSVMAICDYDKTTLVWNCPTTQEHIETSATGWCGRFRPAEPHFTSDGSSFYKIVSDKDGYKHICQFQKDRKPEQVCTFITKGAWEVISIEALTSDYLYYISNEYKEMPGGRNLYKIQLTDHTNKKCLSCDLNPERCQYYSVSLSKEAKYYQLGCRGPGLPLYTLHRSTDQKELRVLEDNSALDKMLQDVQMPSKKLDFIVLNETRFWYQMILPPHFDKSKKYPLLIDVYAGPCSQKADAAFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINKRLGTLEVEDQIEAARQFLKMGFVDSKRVAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDAGVDFQAMWYTDEDHGIASSTAHQHIYSHMSHFLQQCFSLR
  
Inhibitor
Name:
BDBM50338518
Synonyms:
1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl)pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one | CHEMBL1683571
Type:
Small organic molecule
Emp. Form.:
C16H21F4N7O
Mol. Mass.:
403.3779
SMILES:
N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1 |r|
Structure:
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