Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50003879
Substrate
n/a
Meas. Tech.
ChEMBL_685335 (CHEMBL1287450)
Ki
0.331131±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:
BDBM50003879
Synonyms:
CHEMBL1277130
Type:
Small organic molecule
Emp. Form.:
C22H22N6O5
Mol. Mass.:
450.4473
SMILES:
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC)nc(nc12)C#Cc1ccc(cc1)C(C)=O |r|
Structure:
Search PDB for entries with ligand similarity: