Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM11923
Substrate
BDBM11526
Meas. Tech.
In Vitro DPP-IV Inhibition Assays
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
140±17 nM
Citation
 Zhao, G; Taunk, PC; Magnin, DR; Simpkins, LM; Robl, JA; Wang, A; Robertson, JG; Marcinkeviciene, J; Sitkoff, DF; Parker, RA; Kirby, MS; Hamann, LG Diprolyl nitriles as potent dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett 15:3992-5 (2005) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 4
Synonyms:
CD26 | CD_antigen=CD26 | DPP IV | DPP4 | DPP4_PIG | Dipeptidyl peptidase 4 | Dipeptidyl peptidase 4 membrane form | Dipeptidyl peptidase 4 soluble form | Dipeptidyl peptidase IV | Dipeptidyl peptidase IV membrane form | Dipeptidyl peptidase IV soluble form | T-cell activation antigen CD26
Type:
Enzyme
Mol. Mass.:
88235.21
Organism:
Sus scrofa (pig)
Description:
n/a
Residue:
766
Sequence:
MKTPWKVLLGLLGIAALVTVITVPVVLLNKGTDDAAADSRRTYTLTDYLKSTFRVKFYTLQWISDHEYLYKQENNILLFNAEYGNSSIFLENSTFDELGYSTNDYSVSPDRQFILFEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWITWSPVGHKLAYVWNNDIYVKNEPNLSSQRITWTGKENVIYNGVTDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRIPYPKAGAENPTVKFFVVDTRTLSPNASVTSYQIVPPASVLIGDHYLCGVTWVTEERISLQWIRRAQNYSIIDICDYDESTGRWISSVARQHIEISTTGWVGRFRPAEPHFTSDGNSFYKIISNEEGYKHICHFQTDKSNCTFITKGAWEVIGIEALTSDYLYYISNEHKGMPGGRNLYRIQLNDYTKVTCLSCELNPERCQYYSASFSNKAKYYQLRCFGPGLPLYTLHSSSSDKELRVLEDNSALDKMLQDVQMPSKKLDVINLHGTKFWYQMILPPHFDKSKKYPLLIEVYAGPCSQKVDTVFRLSWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEATRQFSKMGFVDDKRIAIWGWSYGGYVTSMVLGAGSGVFKCGIAVAPVSKWEYYDSVYTERYMGLPTPEDNLDYYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQLSKALVDAGVDFQTMWYTDEDHGIASNMAHQHIYTHMSHFLKQCFSLP
  
Inhibitor
Name:
BDBM11923
Synonyms:
substituted diprolyl nitrile 16 | tert-butyl N-[(3S,5S)-5-{[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]carbonyl}pyrrolidin-3-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C16H24N4O3
Mol. Mass.:
320.3868
SMILES:
CC(C)(C)OC(=O)N[C@@H]1CN[C@@H](C1)C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11526
Synonyms:
1-(2-aminoacetyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide | Gly-Pro-p-nitroaniline | Gly-Pro-pNA
Type:
Small organic molecule
Emp. Form.:
C13H16N4O4
Mol. Mass.:
292.2905
SMILES:
NCC(=O)N1CCCC1C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: