Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM50590616
Substrate
n/a
Meas. Tech.
ChEMBL_2197332 (CHEMBL5109848)
Ki
80±n/a nM
Citation
 Bolteau, R; Duroux, R; Laversin, A; Vreulz, B; Shiriaeva, A; Stauch, B; Han, GW; Cherezov, V; Renault, N; Barczyk, A; Ravez, S; Coevoet, M; Melnyk, P; Liberelle, M; Yous, S High ligand efficiency quinazoline compounds as novel A Eur J Med Chem 241:0 (2022) [PubMed] 
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:
BDBM50590616
Synonyms:
CHEMBL5206491
Type:
Small organic molecule
Emp. Form.:
C14H10FN3
Mol. Mass.:
239.2477
SMILES:
Nc1nc(-c2ccc(F)cc2)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: