Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50149598
Substrate
n/a
Meas. Tech.
ChEMBL_1558360 (CHEMBL3772952)
IC50
269±n/a nM
Citation
 Knight, A; Hemmings, JL; Winfield, I; Leuenberger, M; Frattini, E; Frenguelli, BG; Dowell, SJ; Lochner, M; Ladds, G Discovery of Novel Adenosine Receptor Agonists That Exhibit Subtype Selectivity. J Med Chem 59:947-64 (2016) [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:
BDBM50149598
Synonyms:
CHEMBL3770679
Type:
Small organic molecule
Emp. Form.:
C24H30N6O5
Mol. Mass.:
482.5322
SMILES:
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: