BDBM22588 Nucleotide, 3::{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,2,4-trioxo-1H,3H,4H,7H-2,1,3,5,7-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)oxolan-2-yl]methoxy}phosphonic acid

SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1NS(=O)(=O)NC2=O

InChI Key InChIKey=JCAQMQLAHNGVPY-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22588   

TargetBifunctional purine biosynthesis protein ATIC(Human)
The Scripps Research Institute

LigandChemical structure of BindingDB Monomer ID 22588BDBM22588({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,2,4-trioxo-1H,3...)
Affinity DataKi:  150nM ΔG°:  -9.21kcal/molepH: 7.4 T: 2°CAssay Description:The human ATIC enzyme was used for the inhibition assay using the spectrophotometric method monitoring the appearance of IMP by measuring absorbance ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2008
Entry Details Article
PubMed
TargetBifunctional purine biosynthesis protein ATIC(Human)
The Scripps Research Institute

LigandChemical structure of BindingDB Monomer ID 22588BDBM22588({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2,2,4-trioxo-1H,3...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.40kcal/molepH: 7.5 T: 2°CAssay Description:Recombinant human AICAR Tfase was used in the inhibition assay. The reaction was monitored at 298 nm by measuring the increase in absorbance correspo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2008
Entry Details Article
PubMed