BDBM18120 Gln-KPA::[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3S)-3-amino-5-carbamoyl-2-oxopentyl]phosphonate::beta-ketophosphonate analogue

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

InChI Key InChIKey=CJELOTFKVVIGSB-SWHQBSNRSA-M

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18120   

TargetGlutamine--tRNA ligase(Escherichia coli)
Crefsip

LigandPNGBDBM18120(Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...)
Affinity DataKi:  6.50E+5nM ΔG°:  -4.52kcal/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
TargetGlutamate--tRNA ligase(Escherichia coli)
Crefsip

LigandPNGBDBM18120(Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...)
Affinity DataKi:  2.90E+6nM ΔG°:  -3.60kcal/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