Reaction Details Report a problem with these data
Target
Adenosine receptor A2a
Ligand
BDBM508651
Substrate
n/a
Meas. Tech.
competition binding assay
Ki
4.00±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:
BDBM508651
Synonyms:
8-[(2R or 2S)-2-(5,7-dihydro-6H- pyrrolo[3,4-b]pyridin-6-yl)propyl]- 2,2-difluoro[1,3]dioxolo[4,5- h][1,2,4]triazolo[1,5-c]quinazolin- 5-amine (faster eluting a) | US11046714, Example 91 | US11046714, Example 92
Type:
Small organic molecule
Emp. Form.:
C20H17F2N7O2
Mol. Mass.:
425.3915
SMILES:
CC(Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1Cc2cccnc2C1
Structure:
Search PDB for entries with ligand similarity: