Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM508542
Substrate
n/a
Meas. Tech.
competition binding assay
Ki
1.60±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:
BDBM508542
Synonyms:
8-[2-(3-cyclopropyl-3- fluoroazetidin-1-yl)ethyl]-2,2- difluoro[1,3]dioxolo[4,5- h][1,2,4]triazolo[1,5- c]quinazolin-5-amine | US11046714, Example 18
Type:
Small organic molecule
Emp. Form.:
C18H17F3N6O2
Mol. Mass.:
406.3618
SMILES:
Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CC(F)(C3)C3CC3)nn12
Structure:
Search PDB for entries with ligand similarity: