Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50225054
Substrate
n/a
Meas. Tech.
ChEMBL_450927 (CHEMBL900014)
Ki
>10000±n/a nM
Citation
 Simpkins, LM; Bolton, S; Pi, Z; Sutton, JC; Kwon, C; Zhao, G; Magnin, DR; Augeri, DJ; Gungor, T; Rotella, DP; Sun, Z; Liu, Y; Slusarchyk, WS; Marcinkeviciene, J; Robertson, JG; Wang, A; Robl, JA; Atwal, KS; Zahler, RL; Parker, RA; Kirby, MS; Hamann, LG Potent non-nitrile dipeptidic dipeptidyl peptidase IV inhibitors. Bioorg Med Chem Lett 17:6476-80 (2007) [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:
BDBM50225054
Synonyms:
(S)-2-amino-1-(2,3-dihydro-indol-1-yl)-2-(3-hydroxy-adamantan-1-yl)-ethanone | CHEMBL400230
Type:
Small organic molecule
Emp. Form.:
C20H26N2O2
Mol. Mass.:
326.4326
SMILES:
N[C@H](C(=O)N1CCc2ccccc12)C12CC3CC(CC(O)(C3)C1)C2 |w:13.25,15.23,19.21,17.26,TLB:16:17:22:21.14.15,THB:14:13:18:21.15.16,14:15:22.13.23:18,16:15:22:23.17.18,1:13:18:21.15.16,TEB:23:17:21:22.13.14|
Structure:
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