Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50323191
Substrate
n/a
Meas. Tech.
ChEMBL_643842 (CHEMBL1211741)
Ki
442±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:
BDBM50323191
Synonyms:
CHEMBL1209850 | tert-butyl 4-(6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperazine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H27Cl2N7O2
Mol. Mass.:
492.401
SMILES:
Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCN(CC1)C(=O)OC(C)(C)C |(40.71,-27.16,;39.38,-27.93,;38.04,-27.17,;36.71,-27.94,;35.24,-27.47,;34.34,-28.73,;35.25,-29.97,;36.72,-29.48,;38.05,-30.24,;39.39,-29.47,;40.72,-30.24,;42.05,-29.47,;38.06,-31.78,;36.73,-32.55,;36.73,-34.09,;38.06,-34.87,;38.06,-36.41,;39.4,-34.09,;39.4,-32.54,;40.73,-31.77,;32.8,-28.74,;32.02,-27.41,;30.48,-27.42,;29.72,-28.76,;30.51,-30.09,;32.04,-30.07,;28.18,-28.77,;27.42,-30.11,;27.4,-27.44,;25.86,-27.45,;25.08,-26.13,;25.1,-28.79,;24.31,-27.44,)|
Structure:
Search PDB for entries with ligand similarity: