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GPCR

NameAdenosine receptor A2b
SpeciesHomo sapiens (Human)
GeneADORA2B
Synonymadenosine receptor A2b
A2BR
A2B receptor
A2b
DiseaseParoxysmal supraventricular tachycardia
Non-insulin dependent diabetes
Hypertension
Herpes simplex virus infection
Apnea
[ Show all ]
Length332
Amino acid sequenceMLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProtP29275
Protein Data BankN/A
GPCR-HGmod modelP29275
3D structure modelThis predicted structure model is from GPCR-EXP P29275.
BioLiPN/A
Therapeutic Target DatabaseT86679
ChEMBLCHEMBL255
IUPHAR20
DrugBankBE0000241

Ligand

NameCHEMBL561167
Molecular formulaC18H22N4O3
IUPAC name3-(3-methoxypropyl)-8-phenyl-1-propyl-7H-purine-2,6-dione
Molecular weight342.399
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.3
SynonymsBDBM50414366
Inchi KeyABIXUHSEHFCQMV-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N4O3/c1-3-10-22-17(23)14-16(21(18(22)24)11-7-12-25-2)20-15(19-14)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-12H2,1-2H3,(H,19,20)
PubChem CID45268927
ChEMBLCHEMBL561167
IUPHARN/A
BindingDB50414366
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki323.59 nMPMID19346133BindingDB,ChEMBL

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