Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM551666
Substrate
n/a
Meas. Tech.
Measurement of A2A and A2B Antagonism in cAMP Cell-Based Assay
IC50
0.400±n/a nM
Citation
 Larsen, MA; Ali, A; Cumming, J; DeMong, D; Deng, Q; Graham, TH; Hennessy, E; Hoover, AJ; Liu, P; Liu, K; Mansoor, UF; Pan, J; Plummer, CW; Sather, A; Swaminathan, U; Wang, H; Zhang, Y 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use US Patent  US11312719 Publication Date 4/26/2022 
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:
BDBM551666
Synonyms:
(2S,3S or 2R,3R)-3-(4-((3R,5S or 3S,5R)-3-(5-amino-7,9- difluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5- methylpiperidin-1-yl)-3-methyl-1H-pyrazol-1-yl)butan-2-ol | US11312719, Example 212 | US11312719, Example 213 | US11312719, Example 214 | US11312719, Example 215
Type:
Small organic molecule
Emp. Form.:
C23H28F2N8O
Mol. Mass.:
470.5182
SMILES:
CC(O)C(C)n1cc(N2CC(C)CC(C2)c2nc3c4cc(F)cc(F)c4nc(N)n3n2)c(C)n1
Structure:
Search PDB for entries with ligand similarity: