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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

NameCHEMBL2089346
Molecular formulaC27H25N5O2
IUPAC name(1R,2R,3S,4R,5S)-4-[6-(2-phenylethylamino)-2-(2-phenylethynyl)purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight451.53
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50420427
Inchi KeyFYDDTVMINURRAI-IRYUZJHDSA-N
Inchi IDInChI=1S/C27H25N5O2/c33-24-20-15-19(20)23(25(24)34)32-16-29-22-26(28-14-13-18-9-5-2-6-10-18)30-21(31-27(22)32)12-11-17-7-3-1-4-8-17/h1-10,16,19-20,23-25,33-34H,13-15H2,(H,28,30,31)/t19-,20+,23+,24+,25-/m0/s1
PubChem CID70697511
ChEMBLCHEMBL2089346
IUPHARN/A
BindingDB50420427
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Efficacy46.0 %PMID23145215ChEMBL

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