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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

NameCHEMBL63944
Molecular formulaC13H12N4O2
IUPAC name1-benzyl-3-methyl-7H-purine-2,6-dione
Molecular weight256.265
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP1.5
SynonymsBDBM50113235
1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione
CTK0C3768
phenyltheophylline
120642-81-1
[ Show all ]
Inchi KeyYAYRUHPCXIPTID-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H12N4O2/c1-16-11-10(14-8-15-11)12(18)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)
PubChem CID11821203
ChEMBLCHEMBL63944
IUPHARN/A
BindingDB50113235
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10200.0 nMPMID12014951BindingDB,ChEMBL

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