BDBM18135 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}methyl)phosphonic acid::AMPPCP::ATP,Beta Gamma-me::CHEMBL133463::adenylylmethylenediphosphonate

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=UFZTZBNSLXELAL-IOSLPCCCSA-N

Data  4 KI  1 IC50  1 ITC

PDB links: 54 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 18135   

TargetP2X purinoceptor 3(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM18135(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  387nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM18135(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  506nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycine--tRNA ligase(Bombyx mori)
Medical College Of Ohio

LigandPNGBDBM18135(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  800nM ΔG°:  -8.31kcal/mole IC50:  1.00E+4nMpH: 7.5 T: 2°CAssay Description:Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycerol kinase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM18135(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  3.00E+5nMAssay Description:Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)More data for this Ligand-Target Pair
In DepthDetails Article

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18135   

CelltRNA synthetase (GlyRS)(Bombyx mori)
Medical College Of Ohio

SyringePNGBDBM18135(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -8.67kcal/mole −TΔS°: 7.57kcal/mole ΔH°: -16.9kcal/mole logk: 2.17E+6
pH: 7.2 T: 24.85°C