Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A2a
LigandBDBM508593
Substrate/Competitorn/a
Meas. Tech.competition binding assay
Ki 0.800±n/a nM
Citation Amjad, AGallo, GVHenderson, TJKuang, RLim, YLo, MMMetzger, Ede Lera Ruiz, MStamford, ATempest, PWhitehead, BWu, H 2,2-difluorodioxolo A2A receptor antagonists US Patent US11046714 Publication Date 6/29/2021
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A2a
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:
MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM508593
n/a
NameBDBM508593
Synonyms:4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2,4]triazolo [1,5-c]quinazolin-8-yl)ethyl]-1- (cyclopropylmethyl)piperazin- 2-one | US11046714, Example 48
TypeSmall organic molecule
Emp. Form.C20H21F2N7O3
Mol. Mass.445.4226
SMILESNc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCN(CC4CC4)C(=O)C3)nn12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: