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Target
Dipeptidyl peptidase 4 [K6R,T557I]
Ligand
BDBM167942
Substrate
n/a
Meas. Tech.
DPP-IV Inhibition Activity
Temperature
298.15±n/a K
IC50
18347±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:
BDBM167942
Synonyms:
Ethyl 6-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-phenyl-5-(phenylsulfonyl)nicotinate (25b)
Type:
Small organic molecule
Emp. Form.:
C31H27N3O5S
Mol. Mass.:
553.628
SMILES:
CCOC(=O)c1cc(c(nc1-c1ccccc1)-c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 |(-2.71,-13.72,;-3.34,-12.32,;-2.43,-11.07,;-3.06,-9.66,;-4.59,-9.5,;-2.15,-8.42,;-2.78,-7.01,;-1.87,-5.76,;-.34,-5.93,;.28,-7.33,;-.62,-8.58,;.01,-9.99,;1.54,-10.15,;2.16,-11.55,;1.26,-12.8,;-.27,-12.64,;-.9,-11.23,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.58,-3.22,;4.04,-2.74,;4.36,-1.23,;5.83,-.76,;6.97,-1.79,;6.65,-3.29,;5.19,-3.77,;2.1,-4.68,;3.01,-5.93,;-2.5,-4.36,;-1.09,-3.73,;-3.13,-2.95,;-3.91,-4.98,;-4.07,-6.52,;-5.47,-7.14,;-6.72,-6.24,;-6.56,-4.71,;-5.15,-4.08,)|
Structure:
Search PDB for entries with ligand similarity: