Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50558738
Substrate
n/a
Meas. Tech.
ChEMBL_2064594 (CHEMBL4719847)
EC50
68±n/a nM
Citation
 Jörg, M; Glukhova, A; Abdul-Ridha, A; Vecchio, EA; Nguyen, AT; Sexton, PM; White, PJ; May, LT; Christopoulos, A; Scammells, PJ Novel Irreversible Agonists Acting at the A J Med Chem 59:11182-11194 (2016) [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:
BDBM50558738
Synonyms:
CHEMBL4746617
Type:
Small organic molecule
Emp. Form.:
C25H24N8O4S2
Mol. Mass.:
564.639
SMILES:
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CNC(=S)Nc4ccc(cc4)N=C=S)cc3)ncnc12 |r|
Structure:
Search PDB for entries with ligand similarity: