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GPCR

NameAdenosine receptor A2b
SpeciesRattus norvegicus (Rat)
GeneAdora2b
SynonymA2b
A2B receptor
A2BR
adenosine receptor A2b
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProtP29276
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2592
IUPHAR20
DrugBankN/A

Ligand

NameCHEMBL67228
Molecular formulaC14H14N4O2
IUPAC name3-methyl-1-(2-phenylethyl)-7H-purine-2,6-dione
Molecular weight270.292
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.9
SynonymsBDBM50113247
D0B9CC
3-Methyl-1-phenethyl-3,7-dihydro-purine-2,6-dione
Inchi KeyFVUNKKIGHICYFX-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14N4O2/c1-17-12-11(15-9-16-12)13(19)18(14(17)20)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)
PubChem CID10869347
ChEMBLCHEMBL67228
IUPHARN/A
BindingDB50113247
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5530.0 nMPMID12014951BindingDB,ChEMBL

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