Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50323162
Substrate
n/a
Meas. Tech.
ChEMBL_643842 (CHEMBL1211741)
Ki
18±n/a nM
Citation
 Brigance, RP; Meng, W; Fura, A; Harrity, T; Wang, A; Zahler, R; Kirby, MS; Hamann, LG Synthesis and SAR of azolopyrimidines as potent and selective dipeptidyl peptidase-4 (DPP4) inhibitors for type 2 diabetes. Bioorg Med Chem Lett 20:4395-8 (2010) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 4
Synonyms:
ADABP | ADCP2 | Adenosine deaminase complexing protein 2 | CD26 | CD_antigen=CD26 | DPP IV | DPP4 | DPP4_HUMAN | DPPIV | Dipeptidyl peptidase 4 (DDP-IV) | Dipeptidyl peptidase 4 (DPP IV) | Dipeptidyl peptidase 4 (DPP-4) | Dipeptidyl peptidase 4 (DPP4) | Dipeptidyl peptidase 4 (DPPIV) | Dipeptidyl peptidase 4 membrane form | Dipeptidyl peptidase 4 soluble form | Dipeptidyl peptidase IV | Dipeptidyl peptidase IV (DDP-4) | Dipeptidyl peptidase IV (DDP-IV) | Dipeptidyl peptidase IV (DPP IV) | Dipeptidyl peptidase IV membrane form | Dipeptidyl peptidase IV soluble form | Dipeptidyl peptidase-IV (DPP-4) | Dipeptidyl peptidase-IV (DPP-IV) | T-cell activation antigen CD26 | TP103
Type:
Enzyme
Mol. Mass.:
88271.01
Organism:
Homo sapiens (Human)
Description:
P27487
Residue:
766
Sequence:
MKTPWKVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADTVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYDSVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP
  
Inhibitor
Name:
BDBM50323162
Synonyms:
(2-(2-chlorophenyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine | CHEMBL1208840
Type:
Small organic molecule
Emp. Form.:
C20H15Cl3N4
Mol. Mass.:
417.719
SMILES:
Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccccc1Cl |(39.17,3.9,;37.83,3.12,;36.5,3.89,;35.16,3.12,;33.69,3.58,;32.79,2.33,;33.71,1.09,;35.17,1.57,;36.5,.81,;37.84,1.58,;39.17,.82,;40.5,1.59,;36.51,-.72,;35.18,-1.49,;35.18,-3.04,;36.52,-3.81,;36.52,-5.35,;37.85,-3.04,;37.85,-1.49,;39.18,-.71,;31.25,2.32,;30.47,3.65,;28.94,3.64,;28.17,2.3,;28.96,.97,;30.5,.98,;31.28,-.34,)|
Structure:
Search PDB for entries with ligand similarity: