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GPCR

NameAdenosine receptor A2a
SpeciesRattus norvegicus (Rat)
GeneAdora2a
SynonymA2-AR
A2A receptor
adenosine receptor A2a
RDC8
DiseaseN/A for non-human GPCRs
Length410
Amino acid sequenceMGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProtP30543
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL302
IUPHAR19
DrugBankN/A

Ligand

Name(E)-8-(2,4-Dimethoxystyryl)-1,3-diethyl-7-methylxanthine
Molecular formulaC20H24N4O4
IUPAC name8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
Molecular weight384.436
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.5
SynonymsSCHEMBL7313952
AC1O68NR
155271-03-7
CHEMBL73827
8-[(E)-2-(2,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyATDDLHWKZVKABJ-PKNBQFBNSA-N
Inchi IDInChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)12-15(13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
PubChem CID6448854
ChEMBLCHEMBL73827
IUPHARN/A
BindingDB50290172
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki57.0 nM, Bioorg. Med. Chem. Lett., (1997) 7:18:2349BindingDB,ChEMBL

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