Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50146000
Substrate
n/a
Meas. Tech.
ChEMBL_53378 (CHEMBL665782)
Ki
25±n/a nM
Citation
 Magnin, DR; Robl, JA; Sulsky, RB; Augeri, DJ; Huang, Y; Simpkins, LM; Taunk, PC; Betebenner, DA; Robertson, JG; Abboa-Offei, BE; Wang, A; Cap, M; Xin, L; Tao, L; Sitkoff, DF; Malley, MF; Gougoutas, JZ; Khanna, A; Huang, Q; Han, SP; Parker, RA; Hamann, LG Synthesis of novel potent dipeptidyl peptidase IV inhibitors with enhanced chemical stability: interplay between the N-terminal amino acid alkyl side chain and the cyclopropyl group of alpha-aminoacyl-l-cis-4,5-methanoprolinenitrile-based inhibitors. J Med Chem 47:2587-98 (2004) [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:
BDBM50146000
Synonyms:
(1S,5S)-2-((S)-2-Amino-3-methyl-pentanoyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile; TFA | CHEMBL315434
Type:
Small organic molecule
Emp. Form.:
C12H19N3O
Mol. Mass.:
221.2988
SMILES:
CCC(C)[C@H](N)C(=O)N1[C@H]2C[C@H]2CC1C#N
Structure:
Search PDB for entries with ligand similarity: