Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50248264
Substrate
n/a
Meas. Tech.
ChEMBL_543474 (CHEMBL1018640)
Ki
409±n/a nM
Citation
 Shao, Y; Cole, AG; Brescia, MR; Qin, LY; Duo, J; Stauffer, TM; Rokosz, LL; McGuinness, BF; Henderson, I Synthesis and SAR studies of trisubstituted purinones as potent and selective adenosine A2A receptor antagonists. Bioorg Med Chem Lett 19:1399-402 (2009) [PubMed]  Article 
Target
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:
BDBM50248264
Synonyms:
2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-phenyl-7H-purin-8(9H)-one | CHEMBL475147
Type:
Small organic molecule
Emp. Form.:
C22H21N5O2
Mol. Mass.:
387.4344
SMILES:
COc1ccccc1Cn1c2cnc(NC3CC3)nc2n(-c2ccccc2)c1=O
Structure:
Search PDB for entries with ligand similarity: