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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

NameCHEMBL3827598
Molecular formulaC26H38N6O3
IUPAC name1,3-dibutyl-9-[4-[2-(dimethylamino)ethoxy]phenyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight482.629
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50187587
J3.561.728K
1,3-Dibutyl-9-[4-[2-(dimethylamino)ethoxy]phenyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Inchi KeyKKTVRWXNIYLETN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H38N6O3/c1-5-7-14-31-23-22(24(33)32(26(31)34)15-8-6-2)30-17-9-16-29(25(30)27-23)20-10-12-21(13-11-20)35-19-18-28(3)4/h10-13H,5-9,14-19H2,1-4H3
PubChem CID127045167
ChEMBLCHEMBL3827598
IUPHARN/A
BindingDB50187587
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition9.0 %PMID27485602ChEMBL
Ki<1000.0 nMPMID27485602BindingDB,ChEMBL

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