Target
Dipeptidyl peptidase 4
Ligand
BDBM50323188
Substrate
n/a
Meas. Tech.
ChEMBL_643842 (CHEMBL1211741)
Ki
50±n/a nM
Citation
 Brigance, RPMeng, WFura, AHarrity, TWang, AZahler, RKirby, MSHamann, 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:
BDBM50323188
Synonyms:
(7-(2,4-dichlorophenyl)-5-methyl-2-(pyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanamine | CHEMBL1209767
Type:
Small organic molecule
Emp. Form.:
C17H18Cl2N6
Mol. Mass.:
377.271
SMILES:
Cc1nc2nc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)N1CCCC1 |(43.1,-9.38,;41.77,-10.15,;40.43,-9.39,;39.1,-10.16,;37.62,-9.69,;36.73,-10.95,;37.64,-12.19,;39.11,-11.7,;40.44,-12.46,;41.77,-11.69,;43.11,-12.46,;44.44,-11.69,;40.45,-14,;39.12,-14.77,;39.12,-16.31,;40.45,-17.09,;40.45,-18.63,;41.79,-16.31,;41.78,-14.76,;43.11,-13.99,;35.19,-10.96,;34.28,-9.73,;32.81,-10.21,;32.83,-11.75,;34.29,-12.22,)|
Structure:
Search PDB for entries with ligand similarity: