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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

NameCHEMBL609525
Molecular formulaC28H36N8O6S
IUPAC name(2S,3S,4R)-5-[6-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight612.706
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP1.9
SynonymsBDBM50366542
Inchi KeyDXKGEFIRDVVGKW-HJMQJNHMSA-N
Inchi IDInChI=1S/C28H36N8O6S/c1-4-29-27(39)24-22(37)23(38)28(42-24)36-16-33-21-25(31-15-32-26(21)36)30-13-5-6-14-34-43(40,41)20-12-8-9-17-18(20)10-7-11-19(17)35(2)3/h7-12,15-16,22-24,28,34,37-38H,4-6,13-14H2,1-3H3,(H,29,39)(H,30,31,32)/t22-,23+,24-,28?/m0/s1
PubChem CID46875953
ChEMBLCHEMBL609525
IUPHARN/A
BindingDB50366542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki2000.0 nMPMID9873707BindingDB,ChEMBL

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