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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

NameCHEMBL327016
Molecular formulaC17H24N4O4
IUPAC name(E)-3-(1,3-dibutyl-7-methyl-2,6-dioxopurin-8-yl)prop-2-enoic acid
Molecular weight348.403
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.1
Synonyms(E)-3-(1,3-Dibutyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-acrylic acid
BDBM50037442
(E)-3-[(1,3-Dibutyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]propenoic acid
Inchi KeyFIKYVDWEEHJVOL-CMDGGOBGSA-N
Inchi IDInChI=1S/C17H24N4O4/c1-4-6-10-20-15-14(16(24)21(17(20)25)11-7-5-2)19(3)12(18-15)8-9-13(22)23/h8-9H,4-7,10-11H2,1-3H3,(H,22,23)/b9-8+
PubChem CID10472934
ChEMBLCHEMBL327016
IUPHARN/A
BindingDB50037442
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki23200.0 nMPMID7932565BindingDB,ChEMBL

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