Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM551580
Substrate
n/a
Meas. Tech.
Measurement of A2a Binding Affinity Using Radioligand Binding
IC50
0.300±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:
BDBM551580
Synonyms:
US11312719, Example 126 | US11312719, Example 127 | US11312719, Example 128 | rac-2-(4-((2R or 2S,5R or 5S)-5-(5-amino-9-fluoro- 8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2- methylpiperidin-1-yl)-1H-pyrazol-1-yl)-2-methylpropan-1-ol
Type:
Small organic molecule
Emp. Form.:
C23H29FN8O2
Mol. Mass.:
468.5272
SMILES:
COc1cc2nc(N)n3nc(nc3c2cc1F)C1CCC(C)N(C1)c1cnn(c1)C(C)(C)CO
Structure:
Search PDB for entries with ligand similarity: