Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50292320
Substrate
n/a
Meas. Tech.
ChEMBL_457195 (CHEMBL940796)
Ki
230±n/a nM
Citation
 Gregg, A; Bottle, SE; Devine, SM; Figler, H; Linden, J; White, P; Pouton, CW; Urmaliya, V; Scammells, PJ Dual acting antioxidant A1 adenosine receptor agonists. Bioorg Med Chem Lett 17:5437-41 (2007) [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:
BDBM50292320
Synonyms:
CHEMBL400746 | N-(4-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-ylamino)phenethyl)-2-hydroxy-1,1,3,3-tetramethylisoindoline-5-carboxamide | N6-[4-[2-[1,1,3,3-tetramethylisoindol-2-yloxyl-5amido]ethyl]phenyl]adenosine | VCP-102
Type:
Small organic molecule
Emp. Form.:
C31H36N7O6
Mol. Mass.:
602.6608
SMILES:
CC1(C)N([O])C(C)(C)c2cc(ccc12)C(=O)NCCc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |^1:4|
Structure:
Search PDB for entries with ligand similarity: