Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAdenosine receptor A2a
LigandBDBM50389845
Substrate/Competitorn/a
Meas. Tech.ChEMBL_834829 (CHEMBL2073146)
Ki 3981±n/a nM
Citation Sanders, MPRoumen, Lvan der Horst, ELane, JRVischer, HFvan Offenbeek, Jde Vries, HVerhoeven, SChow, KYVerkaar, FBeukers, MWMcGuire, RLeurs, RIjzerman, APde Vlieg, Jde Esch, IJZaman, GJKlomp, JPBender, Ade Graaf, C A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. J Med Chem55:5311-25 (2012) [PubMed]  Article
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:
BDBM50389845
n/a
NameBDBM50389845
Synonyms:CHEMBL1362986
TypeSmall organic molecule
Emp. Form.C25H19N5O4
Mol. Mass.453.4495
SMILESNC(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)=Nc1nc2ccccc2o1 |w:1.1|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: