Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50394239
Substrate
n/a
Meas. Tech.
ChEMBL_856733 (CHEMBL2162559)
IC50
24±n/a nM
Citation
 Lam, B; Zhang, Z; Stafford, JA; Skene, RJ; Shi, L; Gwaltney, SL Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett 22:6628-31 (2012) [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:
BDBM50394239
Synonyms:
CHEMBL2159184
Type:
Small organic molecule
Emp. Form.:
C16H15Cl2N5O2
Mol. Mass.:
380.229
SMILES:
Cn1c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O |(-2.43,-4.9,;-2.42,-3.36,;-1.1,-2.6,;.23,-3.37,;1.57,-2.59,;2.91,-3.36,;1.57,-1.05,;2.9,-.28,;4.23,-1.05,;.24,-.29,;.23,1.25,;-1.1,2.02,;-1.1,3.56,;.23,4.33,;.22,5.87,;1.56,3.57,;1.57,2.02,;2.91,1.25,;-1.1,-1.07,;-2.41,-.3,;-2.41,1.24,;-3.74,-1.06,;-5.07,-.28,;-3.75,-2.59,;-5.08,-3.35,)|
Structure:
Search PDB for entries with ligand similarity: