Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50323185
Substrate
n/a
Meas. Tech.
ChEMBL_643842 (CHEMBL1211741)
Ki
73±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:
BDBM50323185
Synonyms:
6-(aminomethyl)-7-(2,4-dichlorophenyl)-N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine | CHEMBL1209764
Type:
Small organic molecule
Emp. Form.:
C17H20Cl2N6
Mol. Mass.:
379.287
SMILES:
CCN(CC)c1nc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1 |(-9.42,-8.67,;-7.88,-8.66,;-7.1,-9.99,;-7.86,-11.33,;-9.4,-11.34,;-5.56,-9.98,;-4.66,-8.72,;-3.19,-9.19,;-1.86,-8.41,;-.52,-9.18,;.81,-8.41,;-.51,-10.72,;.82,-11.49,;2.15,-10.71,;-1.85,-11.49,;-1.84,-13.03,;-3.17,-13.8,;-3.17,-15.34,;-1.84,-16.11,;-1.84,-17.65,;-.5,-15.34,;-.5,-13.79,;.83,-13.02,;-3.18,-10.73,;-4.65,-11.22,)|
Structure:
Search PDB for entries with ligand similarity: