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Target
Adenosine receptor A2a
Ligand
BDBM508587
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:
BDBM508587
Synonyms:
2,2-difluoro-8-{2-[(2R)-2- methyl-4-(2-methyl-1,3-thiazol- 5-yl)piperazin-1-yl]ethyl} [1,3]dioxolo[4,5-h][1,2,4] triazolo[1,5-c]quinazolin-5- amine | US11046714, Example 45
Type:
Small organic molecule
Emp. Form.:
C21H22F2N8O2S
Mol. Mass.:
488.514
SMILES:
C[C@@H]1CN(CCN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)c1cnc(C)s1 |r|
Structure:
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