Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A2a
LigandBDBM561427
Substrate/Competitorn/a
Meas. Tech.Adenosine A2A Receptor Cyclic AMP GS Assay
Ki<10±n/a nM
Citation Huang, TWang, X Pyrazolopyridines and triazolopyridines as A2A / A2B inhibitors US Patent US11390624 Publication Date 7/19/2022
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:
BDBM561427
n/a
NameBDBM561427
Synonyms:3-(4-amino-7-(4-methyloxazol-5-yl)-2-(pyridin-2-ylmethyl)-2H-[1,2,3]triazolo[4,5-c]pyridin-6-yl)-2-fluorobenzonitrile | US11390624, Example 41
TypeSmall organic molecule
Emp. Form.C22H15FN8O
Mol. Mass.426.4059
SMILESCc1ncoc1-c1c(nc(N)c2nn(Cc3ccccn3)nc12)-c1cccc(C#N)c1F |(2.55,2.32,;1.09,2.8,;.61,4.26,;-.93,4.26,;-1.41,2.8,;-.16,1.9,;-.16,.36,;-1.49,-.41,;-1.49,-1.95,;-.16,-2.72,;-.16,-4.26,;1.17,-1.95,;2.64,-2.43,;3.54,-1.18,;5.08,-1.18,;5.85,.15,;5.08,1.48,;5.85,2.82,;7.39,2.82,;8.16,1.48,;7.39,.15,;2.64,.06,;1.17,-.41,;-2.83,.36,;-2.83,1.9,;-4.16,2.67,;-5.5,1.9,;-5.5,.36,;-6.83,-.41,;-8.16,-1.18,;-4.16,-.41,;-4.16,-1.95,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: