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Target
Dipeptidyl peptidase 4 [K6R,T557I]
Ligand
BDBM167944
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:
BDBM167944
Synonyms:
1,5-Dimethyl-4-(3-methyl-1-phenyl-5-(phenylsulfonyl)-1H-pyrazolo[3,4-b]pyridin-6-yl)-2-phenyl-1H-pyrazol-3(2H)-one (27)
Type:
Small organic molecule
Emp. Form.:
C30H25N5O3S
Mol. Mass.:
535.616
SMILES:
Cc1nn(-c2ccccc2)c2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)c(cc12)S(=O)(=O)c1ccccc1 |(-1.94,3.48,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;-1.94,-1.94,;-.91,-3.09,;-1.39,-4.55,;-2.89,-4.87,;-3.92,-3.73,;-3.45,-2.26,;;1.33,-.77,;2.67,,;4,-.77,;5.41,-.14,;5.73,1.36,;6.44,-1.29,;7.97,-1.13,;5.67,-2.62,;6.29,-4.03,;7.83,-4.19,;8.45,-5.6,;7.55,-6.84,;6.02,-6.68,;5.39,-5.27,;4.16,-2.3,;3.02,-3.33,;2.67,1.54,;1.33,2.31,;,1.54,;4,2.31,;4.77,.98,;5.33,3.08,;3.23,3.64,;1.69,3.64,;.92,4.98,;1.69,6.31,;3.23,6.31,;4,4.98,)|
Structure:
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