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GPCR

NameAdenosine receptor A3
SpeciesRattus norvegicus (Rat)
GeneAdora3
SynonymARA3
Adenosine receptor A3
A3 receptor
TGPCR1
A3AR
DiseaseN/A for non-human GPCRs
Length320
Amino acid sequenceMKANNTTTSALWLQITYITMEAAIGLCAVVGNMLVIWVVKLNRTLRTTTFYFIVSLALADIAVGVLVIPLAIAVSLEVQMHFYACLFMSCVLLVFTHASIMSLLAIAVDRYLRVKLTVRYRTVTTQRRIWLFLGLCWLVSFLVGLTPMFGWNRKVTLELSQNSSTLSCHFRSVVGLDYMVFFSFITWILIPLVVMCIIYLDIFYIIRNKLSQNLTGFRETRAFYGREFKTAKSLFLVLFLFALCWLPLSIINFVSYFNVKIPEIAMCLGILLSHANSMMNPIVYACKIKKFKETYFVILRACRLCQTSDSLDSNLEQTTE
UniProtP28647
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3360
IUPHAR21
DrugBankN/A

Ligand

NamePSB 36
Molecular formulaC21H30N4O3
IUPAC name1-butyl-3-(3-hydroxypropyl)-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Molecular weight386.496
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.0
Synonyms1-Butyl-3-(3-hydroxypropyl)-8-(2,5-methanooctahydropentalene-3a-yl)-3,7-dihydro-1H-purine-2,6-dione
1-butyl-3-(3-hydroxypropyl)-8-(3-noradamantyl)xanthine
1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione
1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione
1-butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3-(3-hydroxypropyl)-3,7-dihydro-1H-purine-2,6-dione
[ Show all ]
Inchi KeyCIBIXJYFYPFMTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)
PubChem CID11689583
ChEMBLCHEMBL1316674
IUPHAR3285
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki6500.0 nMPMID16902942IUPHAR

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