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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

NameCHEMBL1650167
Molecular formulaC21H21N3O3
IUPAC nameN-[4,6-bis(2-methoxyphenyl)pyrimidin-2-yl]propanamide
Molecular weight363.417
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.4
SynonymsN/A
Inchi KeyAKAONMCOZSVUHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N3O3/c1-4-20(25)24-21-22-16(14-9-5-7-11-18(14)26-2)13-17(23-21)15-10-6-8-12-19(15)27-3/h5-13H,4H2,1-3H3,(H,22,23,24,25)
PubChem CID50940925
ChEMBLCHEMBL1650167
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition2.0 %PMID21186795ChEMBL

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