Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50306766
Substrate
n/a
Meas. Tech.
ChEMBL_611932 (CHEMBL1071493)
Ki
32±n/a nM
Citation
 Katritch, V; Jaakola, VP; Lane, JR; Lin, J; Ijzerman, AP; Yeager, M; Kufareva, I; Stevens, RC; Abagyan, R Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. J Med Chem 53:1799-809 (2010) [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:
BDBM50306766
Synonyms:
CHEMBL604535 | N2-(5-chloro-2-methoxyphenyl)-6-(3-methylbenzofuran-2-yl)-1,3,5-triazine-2,4-diamine
Type:
Small organic molecule
Emp. Form.:
C19H16ClN5O2
Mol. Mass.:
381.816
SMILES:
COc1ccc(Cl)cc1Nc1nc(N)nc(n1)-c1oc2ccccc2c1C
Structure:
Search PDB for entries with ligand similarity: