Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50495612
Substrate
n/a
Meas. Tech.
ChEMBL_1291660 (CHEMBL3119407)
Ki
2800±n/a nM
Citation
 Venkatesan, G; Paira, P; Cheong, SL; Vamsikrishna, K; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G Discovery of simplified Nē-substituted pyrazolo[3,4-d]pyrimidine derivatives as novel adenosine receptor antagonists: efficient synthetic approaches, biological evaluations and molecular docking studies. Bioorg Med Chem 22:1751-65 (2014) [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:
BDBM50495612
Synonyms:
CHEMBL3114157
Type:
Small organic molecule
Emp. Form.:
C21H15ClF3N5O
Mol. Mass.:
445.825
SMILES:
FC(F)(F)c1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
Structure:
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