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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

NameCHEMBL2042067
Molecular formulaC12H11BrN2O3
IUPAC name6-bromo-N-(2-hydroxyethyl)-2-iminochromene-3-carboxamide
Molecular weight311.135
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP1.5
Synonyms1395082-72-0
6-bromo-N-(2-hydroxyethyl)-2-imino-2H-chromene-3-carboxamide
Inchi KeyAMMHLLZTESGXKD-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H11BrN2O3/c13-8-1-2-10-7(5-8)6-9(11(14)18-10)12(17)15-3-4-16/h1-2,5-6,14,16H,3-4H2,(H,15,17)
PubChem CID66573312
ChEMBLCHEMBL2042067
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
Inhibition15.0 %PMID22677030ChEMBL

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