Reaction Details Report a problem with these data
Target
Adenosine receptor A2b
Ligand
BDBM50020965
Substrate
n/a
Meas. Tech.
ChEMBL_644535 (CHEMBL1211412)
Ki
394±n/a nM
Citation
 Cheng, F; Xu, Z; Liu, G; Tang, Y Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods. Eur J Med Chem 45:3459-71 (2010) [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:
BDBM50020965
Synonyms:
8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione | 8-(4-Methoxyphenyl)theophylline | 8-(4-methoxyphenyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione | CHEMBL11635
Type:
Small organic molecule
Emp. Form.:
C14H14N4O3
Mol. Mass.:
286.286
SMILES:
COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Structure:
Search PDB for entries with ligand similarity: