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GPCR

NameAdenosine receptor A2b
SpeciesRattus norvegicus (Rat)
GeneAdora2b
SynonymA2b
A2B receptor
A2BR
adenosine receptor A2b
DiseaseN/A for non-human GPCRs
Length332
Amino acid sequenceMQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProtP29276
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2592
IUPHAR20
DrugBankN/A

Ligand

NameCHEMBL48153
Molecular formulaC20H20FN5O
IUPAC name1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight365.412
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
Synonyms1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclohexanol
SCHEMBL5973425
1-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclohexanol
1-[[8-(3-Fluorophenyl)-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
BDBM50095793
[ Show all ]
Inchi KeyPSJFQTPTZIHBKW-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20FN5O/c1-26-18(13-6-5-7-14(21)12-13)25-16-17(22)23-15(24-19(16)26)8-11-20(27)9-3-2-4-10-20/h5-7,12,27H,2-4,9-10H2,1H3,(H2,22,23,24)
PubChem CID9842054
ChEMBLCHEMBL48153
IUPHARN/A
BindingDB50095793
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50250.0 nMPMID11170626ChEMBL

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