Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50355153
Substrate
n/a
Meas. Tech.
ChEMBL_772801 (CHEMBL1837540)
Ki
>10000±n/a nM
Citation
 Cheong, SL; Dolzhenko, AV; Paoletta, S; Lee, EP; Kachler, S; Federico, S; Klotz, KN; Dolzhenko, AV; Spalluto, G; Moro, S; Pastorin, G Does the combination of optimal substitutions at the C²-, N¿?¿- and N¿?¿-positions of the pyrazolo-triazolo-pyrimidine scaffold guarantee selective modulation of the human A3 adenosine receptors? Bioorg Med Chem 19:6120-34 (2011) [PubMed]  Article 
Target
Name:
Adenosine receptor A2b
Synonyms:
AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36341.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
332
Sequence:
MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
  
Inhibitor
Name:
BDBM50355153
Synonyms:
CHEMBL1834694
Type:
Small organic molecule
Emp. Form.:
C21H17BrN8O2
Mol. Mass.:
493.316
SMILES:
COc1ccc(NC(=O)Nc2nc3nn(C)cc3c3nc(nn23)-c2ccc(Br)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: