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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

NameCHEMBL201502
Molecular formulaC26H27FN4O5
IUPAC name2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(5-fluoro-2-hydroxyphenyl)acetamide
Molecular weight494.523
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.0
SynonymsN/A
Inchi KeyAOZWSASISZECAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27FN4O5/c1-3-11-30-21-14-19(29-24(21)25(34)31(12-4-2)26(30)35)16-5-8-18(9-6-16)36-15-23(33)28-20-13-17(27)7-10-22(20)32/h5-10,13-14,29,32H,3-4,11-12,15H2,1-2H3,(H,28,33)
PubChem CID11670446
ChEMBLCHEMBL201502
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
Inhibition29.0 %PMID16392813ChEMBL
Inhibition89.0 %PMID16392813ChEMBL

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