Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50205710
Substrate
n/a
Meas. Tech.
ChEMBL_685335 (CHEMBL1287450)
Ki
1.9±n/a nM
Citation
 Dal Ben, D; Buccioni, M; Lambertucci, C; Marucci, G; Thomas, A; Volpini, R; Cristalli, G Molecular modeling study on potent and selective adenosine A(3) receptor agonists. Bioorg Med Chem 18:7923-30 (2010) [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:
BDBM50205710
Synonyms:
(2S,3S,4R)-3,4-dihydroxy-5-((R)-6-methoxyamino-2-phenylethynyl-9H-purin-3-yl)-tetrahydro-furan-2-carboxylic acid methylamide | (2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(methoxyamino)-2-(phenylethynyl)-9H-purin-9-yl)-N-methyltetrahydrofuran-2-carboxamide | CHEMBL221206
Type:
Small organic molecule
Emp. Form.:
C20H20N6O5
Mol. Mass.:
424.41
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NOC)nc(nc12)C#Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: