Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM508547
Substrate
n/a
Meas. Tech.
competition binding assay
Ki
1.50±n/a nM
Citation
 Amjad, A; Gallo, GV; Henderson, TJ; Kuang, R; Lim, Y; Lo, MM; Metzger, E; de Lera Ruiz, M; Stamford, A; Tempest, P; Whitehead, B; Wu, H 2,2-difluorodioxolo A2A receptor antagonists US Patent  US11046714 Publication Date 6/29/2021 
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:
BDBM508547
Synonyms:
2,2-difluoro-8-{2-[(2R,4S)-4- fluoro-2-methylpyrrolidin-1- yl]ethyl}[1,3]dioxolo[4,5- h][1,2,4]triazolo[1,5- c]quinazolin-5-amine | US11046714, Example 22
Type:
Small organic molecule
Emp. Form.:
C17H17F3N6O2
Mol. Mass.:
394.3511
SMILES:
C[C@@H]1C[C@H](F)CN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1 |r|
Structure:
Search PDB for entries with ligand similarity: