Reaction Details Report a problem with these data
Target
Adenosine receptor A2a/A2b
Ligand
BDBM50023391
Substrate
n/a
Meas. Tech.
ChEMBL_27927 (CHEMBL642335)
Ki
1800±n/a nM
Citation
 Linden, J; Patel, A; Earl, CQ; Craig, RH; Daluge, SM 125I-labeled 8-phenylxanthine derivatives: antagonist radioligands for adenosine A1 receptors. J Med Chem 31:745-51 (1988) [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:
BDBM50023391
Synonyms:
CHEMBL162814 | {4-[1-(4-Amino-3-iodo-benzyl)-2,6-dioxo-3-propyl-2,3,6,9-tetrahydro-1H-purin-8-yl]-phenoxy}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C23H22IN5O5
Mol. Mass.:
575.3558
SMILES:
CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1
Structure:
Search PDB for entries with ligand similarity: