Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM11902
Substrate
BDBM11114
Meas. Tech.
In Vitro DPP-IV Inhibition Assays
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
>10000±n/a nM
Citation
 Magnin, DR; Taunk, PC; Robertson, JG; Wang, A; Marcinkeviciene, J; Kirby, MS; Hamann, LG Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1. Bioorg Med Chem Lett 16:1731-4 (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:
BDBM11902
Synonyms:
(2S)-2-(adamantan-1-yl)-2-amino-N-(1-cyano-1-methylethyl)acetamide | seco-proline-based inhibitor 18
Type:
Small organic molecule
Emp. Form.:
C16H25N3O
Mol. Mass.:
275.3892
SMILES:
[H][C@@](N)(C(=O)NC(C)(C)C#N)[C@@]12CC3CC(CC(C3)C1)C2 |r,TLB:14:15:19:18.12.13,THB:16:15:12:19.18.17,16:17:12:15.20.14,14:13:19:15.20.16|
Structure:
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Substrate
Name:
BDBM11114
Synonyms:
(2S)-1-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide hydrochloride | H-Ala-Pro-p-nitroaniline | H-Ala-Pro-pNA
Type:
Small organic molecule
Emp. Form.:
C14H18N4O4
Mol. Mass.:
306.3171
SMILES:
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
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