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Target
Dipeptidyl peptidase 4
Ligand
BDBM50394237
Substrate
n/a
Meas. Tech.
ChEMBL_856733 (CHEMBL2162559)
IC50
17±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:
BDBM50394237
Synonyms:
CHEMBL2159182
Type:
Small organic molecule
Emp. Form.:
C16H16BrN5O2
Mol. Mass.:
390.235
SMILES:
Cn1c2nc(N)c(CN)c(-c3ccccc3Br)c2c(=O)n(C)c1=O |(12.1,-44.66,;12.11,-43.12,;13.43,-42.35,;14.76,-43.12,;16.1,-42.35,;17.44,-43.11,;16.1,-40.81,;17.43,-40.04,;18.76,-40.8,;14.77,-40.04,;14.76,-38.51,;13.43,-37.74,;13.43,-36.19,;14.76,-35.42,;16.1,-36.19,;16.1,-37.74,;17.44,-38.51,;13.43,-40.82,;12.12,-40.06,;12.12,-38.52,;10.79,-40.81,;9.46,-40.04,;10.78,-42.34,;9.45,-43.11,)|
Structure:
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