Reaction Details Report a problem with these data
Target
Adenosine receptor A2a/A2b
Ligand
BDBM81925
Substrate
n/a
Meas. Tech.
ChEMBL_27926 (CHEMBL642334)
Ki
140±n/a nM
Citation
 Shamim, MT; Ukena, D; Padgett, WL; Daly, JW Effects of 8-phenyl and 8-cycloalkyl substituents on the activity of mono-, di-, and trisubstituted alkylxanthines with substitution at the 1-, 3-, and 7-positions. J Med Chem 32:1231-7 (1989) [PubMed]  Article 
Target
Name:
Adenosine receptor A2a/A2b
Synonyms:
Adenosine A2 receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 329906
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Adenosine receptor A2a
Synonyms:
A2A adenosine receptor (hA2A) | AA2AR_HUMAN | ADENOSINE A2 | ADENOSINE A2a | ADORA2 | ADORA2A | Adenosine A2A receptor (A2AAR)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
44716.46
Organism:
Homo sapiens (Human)
Description:
P29274
Residue:
412
Sequence:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNGYALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
  
Inhibitor
Name:
BDBM81925
Synonyms:
8-Cyclopentyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione | 8-Cyclopentyltheophylline (CPT) | CAS_1917 | CHEMBL106265 | CPT | NSC_1917
Type:
Small organic molecule
Emp. Form.:
C12H16N4O2
Mol. Mass.:
248.281
SMILES:
Cn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Structure:
Search PDB for entries with ligand similarity: