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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

NameCHEMBL3827331
Molecular formulaC30H46N6O3
IUPAC name1,3-dibutyl-9-[2-[4-[2-(diethylamino)ethoxy]phenyl]ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight538.737
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.3
SynonymsBDBM50187591
Inchi KeyPCGDFXCJWKWRNP-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H46N6O3/c1-5-9-18-35-27-26(28(37)36(30(35)38)19-10-6-2)34-20-11-17-33(29(34)31-27)21-16-24-12-14-25(15-13-24)39-23-22-32(7-3)8-4/h12-15H,5-11,16-23H2,1-4H3
PubChem CID127043828
ChEMBLCHEMBL3827331
IUPHARN/A
BindingDB50187591
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition38.0 %PMID27485602ChEMBL
Ki1100.0 nMPMID27485602BindingDB,ChEMBL

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