Reaction Details  Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50470471
Substrate
n/a
Meas. Tech.
ChEMBL_1802981 (CHEMBL4275273)
Ki
1.2±n/a nM
Citation
 Federico, S; Margiotta, E; Salmaso, V; Pastorin, G; Kachler, S; Klotz, KN; Moro, S; Spalluto, G [1,2,4]Triazolo[1,5-c]pyrimidines as adenosine receptor antagonists: Modifications at the 8 position to reach selectivity towards A Eur J Med Chem 157:837-851 (2018) [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:
BDBM50470471
Synonyms:
CHEMBL4294479
Type:
Small organic molecule
Emp. Form.:
C20H19N5O3
Mol. Mass.:
377.3966
SMILES:
CCc1ccc(COC(=O)c2cnc(NC)n3nc(nc23)-c2ccco2)cc1
Structure:
Search PDB for entries with ligand similarity: