Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 4 [K6R,T557I]
Ligand
BDBM167943
Substrate
n/a
Meas. Tech.
DPP-IV Inhibition Activity
Temperature
298.15±n/a K
IC50
>50±0.0 nM
Comments
extracted
Citation
 Gomha, SM; Eldebss, TM; Badrey, MG; Abdulla, MM; Mayhoub, AS Novel 4-heteroaryl-antipyrines as DPP-IV inhibitors. Chem Biol Drug Des 86:1292-303 (2015) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 4 [K6R,T557I]
Synonyms:
ADCP2 | CD26 | DPP4 | DPP4_HUMAN | Dipeptidyl peptidase IV (DPP-IV) | Dipeptidyl peptidase-IV (DDP-4) | Dipeptidyl peptidase-IV (DPP-IV)
Type:
Protein
Mol. Mass.:
88325.11
Organism:
Homo sapiens (Human)
Description:
P27487[K6R,T557I]
Residue:
766
Sequence:
MKTPWRVLLGLLGAAALVTIITVPVVLLNKGTDDATADSRKTYTLTDYLKNTYRLKLYSLRWISDHEYLYKQENNILVFNAEYGNSSVFLENSTFDEFGHSINDYSISPDGQFILLEYNYVKQWRHSYTASYDIYDLNKRQLITEERIPNNTQWVTWSPVGHKLAYVWNNDIYVKIEPNLPSYRITWTGKEDIIYNGITDWVYEEEVFSAYSALWWSPNGTFLAYAQFNDTEVPLIEYSFYSDESLQYPKTVRVPYPKAGAVNPTVKFFVVNTDSLSSVTNATSIQITAPASMLIGDHYLCDVTWATQERISLQWLRRIQNYSVMDICDYDESSGRWNCLVARQHIEMSTTGWVGRFRPSEPHFTLDGNSFYKIISNEEGYRHICYFQIDKKDCTFITKGTWEVIGIEALTSDYLYYISNEYKGMPGGRNLYKIQLSDYTKVTCLSCELNPERCQYYSVSFSKEAKYYQLRCSGPGLPLYTLHSSVNDKGLRVLEDNSALDKMLQNVQMPSKKLDFIILNETKFWYQMILPPHFDKSKKYPLLLDVYAGPCSQKADIVFRLNWATYLASTENIIVASFDGRGSGYQGDKIMHAINRRLGTFEVEDQIEAARQFSKMGFVDNKRIAIWGWSYGGYVTSMVLGSGSGVFKCGIAVAPVSRWEYYESVYTERYMGLPTPEDNLDHYRNSTVMSRAENFKQVEYLLIHGTADDNVHFQQSAQISKALVDVGVDFQAMWYTDEDHGIASSTAHQHIYTHMSHFIKQCFSLP
  
Inhibitor
Name:
BDBM167943
Synonyms:
3-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1Hpyrazol-4-yl)-2-(phenylsulfonyl)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile (26)
Type:
Small organic molecule
Emp. Form.:
C29H21N5O3S
Mol. Mass.:
519.574
SMILES:
Cc1c(-c2c(C#N)c3nc4ccccc4n3cc2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C |(19.46,-10.69,;19.94,-9.22,;19.03,-7.97,;17.49,-7.97,;16.72,-9.31,;17.49,-10.64,;18.26,-11.98,;15.18,-9.31,;14.15,-10.45,;12.74,-9.83,;11.34,-10.45,;10.09,-9.55,;10.25,-8.02,;11.66,-7.39,;12.9,-8.3,;14.41,-7.97,;15.18,-6.64,;16.72,-6.64,;17.49,-5.31,;18.82,-6.08,;16.16,-4.54,;18.26,-3.97,;19.8,-3.97,;20.57,-2.64,;19.8,-1.31,;18.26,-1.31,;17.49,-2.64,;19.94,-6.73,;19.46,-5.26,;21.4,-7.2,;22.65,-6.3,;24.05,-6.93,;25.3,-6.02,;25.14,-4.49,;23.73,-3.86,;22.48,-4.77,;21.4,-8.74,;22.65,-9.65,)|
Structure:
Search PDB for entries with ligand similarity: