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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

NameCHEMBL3828530
Molecular formulaC20H26N6O3
IUPAC name9-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight398.467
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.7
SynonymsBDBM50187597
Inchi KeyAHSLSUWOGCWHAY-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26N6O3/c1-22(2)12-13-29-15-8-6-14(7-9-15)25-10-5-11-26-16-17(21-19(25)26)23(3)20(28)24(4)18(16)27/h6-9H,5,10-13H2,1-4H3
PubChem CID127043159
ChEMBLCHEMBL3828530
IUPHARN/A
BindingDB50187597
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition1.0 %PMID27485602ChEMBL
Ki<1000.0 nMPMID27485602BindingDB,ChEMBL

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