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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

NameCHEMBL115608
Molecular formulaC16H24N4O4
IUPAC name3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)propanoic acid
Molecular weight336.392
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
Synonyms3-(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionic acid
3-[(1,3-Dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]propanoic acid
BDBM50037432
Inchi KeyBLBRCZMSXDKMIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H24N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h3-10H2,1-2H3,(H,17,18)(H,21,22)
PubChem CID11724565
ChEMBLCHEMBL115608
IUPHARN/A
BindingDB50037432
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki129000.0 nMPMID7932565BindingDB,ChEMBL

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