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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

NameCHEMBL52276
Molecular formulaC21H20F3N5O
IUPAC name1-[2-[6-amino-9-methyl-8-[3-(trifluoromethyl)phenyl]purin-2-yl]ethynyl]cyclohexan-1-ol
Molecular weight415.42
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.4
Synonyms1-[6-Amino-9-methyl-8-(3-trifluoromethyl-phenyl)-9H-purin-2-ylethynyl]-cyclohexanol
BDBM50095785
1-[[8-[3-(Trifluoromethyl)phenyl]-6-amino-9-methyl-9H-purine-2-yl]ethynyl]cyclohexanol
Inchi KeyFMTIKYIJMCQZIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H20F3N5O/c1-29-18(13-6-5-7-14(12-13)21(22,23)24)28-16-17(25)26-15(27-19(16)29)8-11-20(30)9-3-2-4-10-20/h5-7,12,30H,2-4,9-10H2,1H3,(H2,25,26,27)
PubChem CID10621771
ChEMBLCHEMBL52276
IUPHARN/A
BindingDB50095785
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID11170626ChEMBL

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