Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4
Ligand
BDBM50225049
Substrate
n/a
Meas. Tech.
ChEMBL_450927 (CHEMBL900014)
Ki
14±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:
BDBM50225049
Synonyms:
2-(S)-amino-1-(1S,5R)-2-aza-bicyclo[3.1.0]hex-2-yl-2-(3,5-dihydroxy-adamantan-1-yl)-ethanone | CHEMBL238026
Type:
Small organic molecule
Emp. Form.:
C17H26N2O3
Mol. Mass.:
306.3999
SMILES:
N[C@H](C(=O)N1CC[C@@H]2C[C@H]12)C12CC3CC(O)(CC(O)(C3)C1)C2 |w:14.16,17.19,TLB:19:12:21:20.17.16,19:17:21:13.11.12,THB:1:10:16:13.12.19,11:10:16:13.12.19,11:12:21.10.20:16,TEB:18:17:21:13.11.12,18:17:13:21.10.11|
Structure:
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