Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50495611
Substrate
n/a
Meas. Tech.
ChEMBL_1291662 (CHEMBL3119409)
Ki
2060±n/a nM
Citation
 Venkatesan, G; Paira, P; Cheong, SL; Vamsikrishna, K; Federico, S; Klotz, KN; Spalluto, G; Pastorin, G Discovery of simplified Nē-substituted pyrazolo[3,4-d]pyrimidine derivatives as novel adenosine receptor antagonists: efficient synthetic approaches, biological evaluations and molecular docking studies. Bioorg Med Chem 22:1751-65 (2014) [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:
BDBM50495611
Synonyms:
CHEMBL3114156
Type:
Small organic molecule
Emp. Form.:
C20H15ClFN5O
Mol. Mass.:
395.817
SMILES:
Fc1ccc(cc1)C(=O)Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1
Structure:
Search PDB for entries with ligand similarity: