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GPCR

NameAdenosine receptor A2a
SpeciesCavia porcellus (Guinea pig)
GeneADORA2A
SynonymN/A
DiseaseN/A for non-human GPCRs
Length409
Amino acid sequenceMSSSVYITVELVIAVLAILGNVLVCWAVWINSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLTITIDRYIAIRIPLRYNGLVTCTRAKGIIAICWVLSFAIGLTPMLGWNNCSQPKGDKNHSESCDEGQVTCLFEDVVPMNYMVYYNFFAFVLVPLLLMLGIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHPAKSLAIIVGLFALCCLPLNIINCFTFFCPECDHAPPWLMYLTIILSHGNSVVNPLIYAYRIREFRQTFRKIIRSHILRRRELFKAGGTSARASAAHSPEGEQVSLRLNGHPPGVWANGSALRPEQRPNGYVLGLVSGRSAQRSHGDASLSDVELLSHEHKGTCPESPSLEDPPAHGGAGVS
UniProtP46616
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2605
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL11146
Molecular formulaC14H12N4O4
IUPAC name2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
Molecular weight300.274
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.0
Synonyms2-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid
BDBM50020850
SCHEMBL516485
2-[(1,3-Dimethyl-2,6-dioxo-1,3,6,7-tetrahydro-2H-purine)-8-yl]benzoic acid
Inchi KeyBBISNWCHHLHHHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-5-3-4-6-8(7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)
PubChem CID13525063
ChEMBLCHEMBL11146
IUPHARN/A
BindingDB50020850
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<30000.0 nMPMID2984420BindingDB,ChEMBL

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