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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

Name1,3-Diisobutylxanthine
Molecular formulaC13H20N4O2
IUPAC name1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Molecular weight264.329
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.8
SynonymsDTXSID70213605
1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
BDBM50022731
1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-
CHEMBL26350
[ Show all ]
Inchi KeyIPUAJXHKDUKOCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H20N4O2/c1-8(2)5-16-11-10(14-7-15-11)12(18)17(13(16)19)6-9(3)4/h7-9H,5-6H2,1-4H3,(H,14,15)
PubChem CID3048504
ChEMBLCHEMBL26350
IUPHARN/A
BindingDB50022731
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1700.0 nMPMID3806581BindingDB,ChEMBL

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