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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

NameCHEMBL138746
Molecular formulaC19H29N5O6
IUPAC name(2S,3S,4R,5R)-5-(1,3-dibutyl-2,6-dioxopurin-7-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Molecular weight423.47
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.5
Synonyms5-(1,3-Dibutyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid methylamide
BDBM50118811
DBXRM
Inchi KeyFOUQIXNUUYCGAU-MOROJQBDSA-N
Inchi IDInChI=1S/C19H29N5O6/c1-4-6-8-22-15-11(17(28)23(19(22)29)9-7-5-2)24(10-21-15)18-13(26)12(25)14(30-18)16(27)20-3/h10,12-14,18,25-26H,4-9H2,1-3H3,(H,20,27)/t12-,13+,14-,18+/m0/s1
PubChem CID11743031
ChEMBLCHEMBL138746
IUPHARN/A
BindingDB50118811
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki229.0 nMPMID7966162, PMID22468757BindingDB,ChEMBL

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