Reaction Details Report a problem with these data
Target
Adenosine receptor A3
Ligand
BDBM50495614
Substrate
n/a
Meas. Tech.
ChEMBL_1291660 (CHEMBL3119407)
Ki
6600±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:
BDBM50495614
Synonyms:
CHEMBL3114153
Type:
Small organic molecule
Emp. Form.:
C18H17ClF3N5O
Mol. Mass.:
411.809
SMILES:
CC(C)(C)Cn1cc2c(Cl)nc(NC(=O)c3ccc(cc3)C(F)(F)F)nc2n1
Structure:
Search PDB for entries with ligand similarity: