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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

NameBRN 0240672
Molecular formulaC8H10N4O3
IUPAC name3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione
Molecular weight210.193
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP-0.6
Synonyms31542-47-9
CTK4G7320
3-(2-Hydroxy-ethyl)-1-methyl-3,7-dihydro-purine-2,6-dione
AC1Q6LGP
Xanthine, 3-(2-hydroxyethyl)-1-methyl-
[ Show all ]
Inchi KeyXXSKBKUNDLWMML-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H10N4O3/c1-11-7(14)5-6(10-4-9-5)12(2-3-13)8(11)15/h4,13H,2-3H2,1H3,(H,9,10)
PubChem CID208041
ChEMBLCHEMBL26061
IUPHARN/A
BindingDB50025579
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki80000.0 nMPMID3806581BindingDB,ChEMBL

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