Target
Dipeptidyl peptidase 4
Ligand
BDBM11112
Substrate
BDBM11057
Meas. Tech.
DPPIV Inhibition Assay
Ki
0.66±n/a nM
Citation
 Pei, ZLi, XLongenecker, Kvon Geldern, TWWiedeman, PELubben, THZinker, BAStewart, KBallaron, SJStashko, MAMika, AKBeno, DWLong, MWells, HKempf-Grote, AJMadar, DJMcDermott, TSBhagavatula, LFickes, MGPireh, DSolomon, LRLake, MREdalji, RFry, EHSham, HLTrevillyan, JM Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J Med Chem 49:3520-35 (2006) [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:
BDBM11112
Synonyms:
2-cyanopyrrolidine 21as | N-(4-chloro-3-{[(2R,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}phenyl)-1H-pyrazole-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C21H23ClN6O3
Mol. Mass.:
442.899
SMILES:
Clc1ccc(NC(=O)c2ccn[nH]2)cc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM11057
Synonyms:
1-(2-aminoacetyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)pyrrolidine-2-carboxamide hydrobromide | Gly-Pro-7-amido-4-methylcoumarin hydrobromide | Gly-Pro-7-amidomethylcoumarin | Gly-Pro-AMC
Type:
Small organic molecule
Emp. Form.:
C17H19N3O4
Mol. Mass.:
329.3505
SMILES:
Cc1cc(=O)oc2cc(NC(=O)C3CCCN3C(=O)CN)ccc12
Structure:
Search PDB for entries with ligand similarity: