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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

NameCHEMBL1650353
Molecular formulaC21H15F6N3O
IUPAC nameN-[2,6-bis[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propanamide
Molecular weight439.361
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.3
SynonymsN/A
Inchi KeyAKBISJVDIOWOKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15F6N3O/c1-2-18(31)29-17-11-16(12-3-7-14(8-4-12)20(22,23)24)28-19(30-17)13-5-9-15(10-6-13)21(25,26)27/h3-11H,2H2,1H3,(H,28,29,30,31)
PubChem CID50940968
ChEMBLCHEMBL1650353
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition8.0 %PMID21186795ChEMBL

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