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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

NameCHEMBL179935
Molecular formulaC26H25ClN6O4
IUPAC name8-[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight520.974
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50159978
SCHEMBL1944787
8-{4-[5-(2-Chloro-phenyl)-[1,2,4]oxadiazol-3-ylmethoxy]-phenyl}-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Inchi KeyAJJCTKMXFBGKIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25ClN6O4/c1-3-13-32-23-21(25(34)33(14-4-2)26(32)35)29-22(30-23)16-9-11-17(12-10-16)36-15-20-28-24(37-31-20)18-7-5-6-8-19(18)27/h5-12H,3-4,13-15H2,1-2H3,(H,29,30)
PubChem CID21958720
ChEMBLCHEMBL179935
IUPHARN/A
BindingDB50159978
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki5830.0 nMPMID15664822BindingDB,ChEMBL

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