BDBM2 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid::ATP::Brimonidine ATP::CHEMBL14249

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

InChI Key InChIKey=ZKHQWZAMYRWXGA-KQYNXXCUSA-N

Data  6 KI  2 IC50  5 EC50  5 ITC

PDB links: 433 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 2   

TargetAlpha-2C adrenergic receptor(RAT)
University Of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  3.10nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 3(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  14.6nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 2(Homo sapiens (Human))
Abbott Laboratories

Curated by PDSP Ki Database
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  14.7nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholecystokinin(RAT)
F. Hoffmann-La Roche

Curated by PDSP Ki Database
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCholecystokinin(RAT)
F. Hoffmann-La Roche

Curated by PDSP Ki Database
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGlycine--tRNA ligase(Bombyx mori)
Medical College Of Ohio

LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataKi:  1.30E+4nM ΔG°:  -6.66kcal/mole IC50:  1.00E+5nMpH: 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

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 2   

CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -9.03kcal/mole −TΔS°: 4.77kcal/mole ΔH°: -13.8kcal/mole logk: 3.90E+6
pH: 7.5 T: 25.00°C 
CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -9.13kcal/mole −TΔS°: 3.92kcal/mole ΔH°: -13.0kcal/mole
pH: 7.5 T: 20.00°C 
CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -8.93kcal/mole −TΔS°: 3.17kcal/mole ΔH°: -12.1kcal/mole
pH: 7.5 T: 15.00°C 
CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -8.93kcal/mole −TΔS°: 2.84kcal/mole ΔH°: -11.7kcal/mole
pH: 7.5 T: 10.00°C 
CelltRNA synthetase (GlyRS)(Bombyx mori)
Medical College Of Ohio

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -7.31kcal/mole −TΔS°: 8.81kcal/mole ΔH°: -17.2kcal/mole logk: 2.50E+5
pH: 7.2 T: 24.85°C