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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

NameCHEMBL67313
Molecular formulaC15H16N4O2
IUPAC name3-methyl-1-(3-phenylpropyl)-7H-purine-2,6-dione
Molecular weight284.319
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.3
Synonyms3-methyl-1-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SCHEMBL3116806
3-Methyl-1-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione
BDBM50113234
OQPVMZLXRVLYHM-UHFFFAOYSA-N
Inchi KeyOQPVMZLXRVLYHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16N4O2/c1-18-13-12(16-10-17-13)14(20)19(15(18)21)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17)
PubChem CID11822168
ChEMBLCHEMBL67313
IUPHARN/A
BindingDB50113234
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki15300.0 nMPMID12014951BindingDB,ChEMBL

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