Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50086134
Substrate
n/a
Meas. Tech.
ChEMBL_744131 (CHEMBL1771830)
Ki
15.8±n/a nM
Citation
 Cheong, SL; Federico, S; Venkatesan, G; Paira, P; Shao, YM; Spalluto, G; Yap, CW; Pastorin, G Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo-pyrimidines as potent human A3 adenosine receptor antagonists. Bioorg Med Chem Lett 21:2898-905 (2011) [PubMed]  Article 
Target
Name:
Adenosine receptor A3
Synonyms:
A3 adenosine receptor (hA3) | AA3R_HUMAN | ADORA3 | Adenosine A3 receptor (A3AR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36197.32
Organism:
Homo sapiens (Human)
Description:
P0DMS8
Residue:
318
Sequence:
MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
  
Inhibitor
Name:
BDBM50086134
Synonyms:
CHEMBL274273 | N-(1-Oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-propionamide
Type:
Small organic molecule
Emp. Form.:
C18H15N5O2
Mol. Mass.:
333.344
SMILES:
CCC(=O)Nc1nc2ccccc2n2c1nn(-c1ccccc1)c2=O
Structure:
Search PDB for entries with ligand similarity: