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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

NameCHEMBL307105
Molecular formulaC19H23ClN4O2
IUPAC name7-(2-chloroethyl)-8-phenyl-1,3-dipropylpurine-2,6-dione
Molecular weight374.869
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.5
SynonymsBDBM50113239
7-(2-Chloro-ethyl)-8-phenyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Inchi KeyQITWXKORLMEMBF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23ClN4O2/c1-3-11-23-17-15(18(25)24(12-4-2)19(23)26)22(13-10-20)16(21-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
PubChem CID10861697
ChEMBLCHEMBL307105
IUPHARN/A
BindingDB50113239
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3360.0 nMPMID12014951BindingDB,ChEMBL

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