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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

Namecaffeine
Molecular formulaC8H10N4O2
IUPAC name1,3,7-trimethylpurine-2,6-dione
Molecular weight194.194
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP-0.1
Synonymspeyona
Propoxyphene Compound-65
SBB006474
NCGC00015208-01
SMR000326667
[ Show all ]
Inchi KeyRYYVLZVUVIJVGH-UHFFFAOYSA-N
Inchi IDInChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
PubChem CID2519
ChEMBLCHEMBL113
IUPHAR407
BindingDB10849
DrugBankDB00201

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID20188574, PMID19569717PDSP
Ki10400.0 nMPMID19569717, PMID20537438, PMID12014951BindingDB,ChEMBL
Ki10400.0 - 33800.0 nMPMID19569717, PMID12014951, PMID18404493IUPHAR
Ki20500.0 nMPMID21664729, PMID24164628BindingDB,ChEMBL
Ki33800.0 nMPMID24139167, PMID19569717, PMID20188574, PMID26824742BindingDB,ChEMBL

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