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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

NameTheobromine, 1-propyl-
Molecular formulaC10H14N4O2
IUPAC name3,7-dimethyl-1-propylpurine-2,6-dione
Molecular weight222.248
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP0.8
Synonyms3,7-dimethyl-1-propyl-1H-purine-2,6-(2H,6H)-dione
AC1L3WHB
LS-149387
1-Propyl theobromine
3,7-Dimethyl-1-propyl-3,7-dihydro-purine-2,6-dione
[ Show all ]
Inchi KeyXJKSERUTELYNMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H14N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h6H,4-5H2,1-3H3
PubChem CID96448
ChEMBLCHEMBL286680
IUPHARN/A
BindingDB50025566
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5000.0 nMPMID3806581BindingDB,ChEMBL

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