Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A2b
LigandBDBM50336981
Substrate/Competitorn/a
Meas. Tech.ChEMBL_719009 (CHEMBL1679071)
Ki 26±n/a nM
Citation Eastwood, PEsteve, CGonzález, JFonquerna, SAiguadé, JCarranco, IsDoménech, TAparici, MsMiralpeix, MAlbertí, JCórdoba, MFernández, RPont, MsGodessart, NsPrats, NLoza, MsCadavid, MsNueda, A Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor Antagonist ACS Med Chem Lett2:213-218 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Adenosine receptor A2b
Name:Adenosine receptor A2b
Synonyms:AA2BR_HUMAN | ADENOSINE A2B | ADORA2B | Adenosine receptor A2B (A2B) | Adenosine receptors A2b | Adenosine receptors; A2a & A2b
Type:G Protein-Coupled Receptor (GPCR)
Mol. Mass.:36341.22
Organism:Homo sapiens (Human)
Description:n/a
Residue:332
Sequence:
MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFA
IPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGT
RARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMS
YMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIV
GIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYT
FHKIISRYLLCQADVKSGNGQAGVQPALGVGL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50336981
n/a
NameBDBM50336981
Synonyms:CHEMBL1672629 | N-[5-(3,5-Difluoropyridin-4-yl)-6-pyridin-3-ylpyrazin-2-yl]cyclopropane carboxamide
TypeSmall organic molecule
Emp. Form.C18H13F2N5O
Mol. Mass.353.3255
SMILESFc1cncc(F)c1-c1ncc(NC(=O)C2CC2)nc1-c1cccnc1 |(-1.07,4.1,;-2.52,3.57,;-3.7,4.56,;-5.15,4.04,;-5.41,2.52,;-4.23,1.53,;-4.76,.08,;-2.79,2.06,;-1.25,.77,;.08,1.54,;1.41,.77,;1.41,-.77,;2.75,-1.54,;4.08,-.77,;5.41,-1.54,;4.08,.77,;4.85,2.1,;3.31,2.1,;.08,-1.54,;-1.25,-.77,;-2.79,-2.06,;-4.23,-1.53,;-5.41,-2.52,;-5.15,-4.04,;-3.7,-4.56,;-2.52,-3.57,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: