BDBM18118 (4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)-5-oxohexanoic acid::Glu-KPA::beta-ketophosphonate analogue

SMILES N[C@@H](CCC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=XONBYASEUCHRHI-SWHQBSNRSA-N

Data  3 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 3 hits for monomerid = 18118   

TargetGlutamate--tRNA ligase(Escherichia coli)
Crefsip

LigandPNGBDBM18118((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  1.80E+4nM ΔG°:  -6.73kcal/molepH: 7.2 T: 2°CAssay Description:The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutamine--tRNA ligase(Bos taurus (bovine))
Crefsip

LigandPNGBDBM18118((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  2.60E+6nM ΔG°:  -3.67kcal/molepH: 7.2 T: 2°CAssay Description:The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutamine--tRNA ligase(Escherichia coli)
Crefsip

LigandPNGBDBM18118((4S)-4-amino-6-({[(2R,3S,4R,5R)-5-(6-amino-9H-puri...)
Affinity DataKi:  2.80E+6nM ΔG°:  -3.62kcal/molepH: 7.2 T: 2°CAssay Description:The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed