Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50323175
Substrate
n/a
Meas. Tech.
ChEMBL_643842 (CHEMBL1211741)
Ki
43±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:
BDBM50323175
Synonyms:
(7-(2,4-dichlorophenyl)-2-(furan-2-yl)-5-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanamine | CHEMBL1209609
Type:
Small organic molecule
Emp. Form.:
C18H14Cl2N4O
Mol. Mass.:
373.236
SMILES:
Cc1nc2cc(nn2c(c1CN)-c1ccc(Cl)cc1Cl)-c1ccco1 |(32.7,-8.42,;31.37,-9.2,;30.03,-8.43,;28.7,-9.2,;27.23,-8.74,;26.33,-9.99,;27.24,-11.23,;28.71,-10.75,;30.04,-11.51,;31.37,-10.74,;32.71,-11.5,;34.04,-10.73,;30.05,-13.04,;28.72,-13.81,;28.72,-15.36,;30.05,-16.13,;30.05,-17.67,;31.39,-15.36,;31.38,-13.81,;32.72,-13.03,;24.79,-10,;23.87,-8.77,;22.41,-9.26,;22.42,-10.8,;23.89,-11.26,)|
Structure:
Search PDB for entries with ligand similarity: