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GPCR

NameAdenosine receptor A3
SpeciesHomo sapiens (Human)
GeneADORA3
SynonymARA3
Adenosine receptor A3
A3AR
A3 receptor
TGPCR1
DiseaseCerebrovascular ischaemia
Malaria
Ischemia
Inflammation
Hepatocellular carcinoma; Hepatitis C virus infection
[ Show all ]
Length318
Amino acid sequenceMPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProtP0DMS8
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT36059
ChEMBLCHEMBL256
IUPHAR21
DrugBankBE0000354

Ligand

NameCHEMBL220386
Molecular formulaC21H21FN6O5
IUPAC name(2S,3S,4R,5R)-N-ethyl-5-[2-[2-(4-fluorophenyl)ethynyl]-6-(methoxyamino)purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight456.434
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP1.3
SynonymsBDBM50205720
2-[(4-fuorophenyl)ethynyl]-N6-methoxy-5''-N-ethylcarboxamidoadenosine
Inchi KeyAHXLSRFNPIOZKZ-GRXQJBFDSA-N
Inchi IDInChI=1S/C21H21FN6O5/c1-3-23-20(31)17-15(29)16(30)21(33-17)28-10-24-14-18(27-32-2)25-13(26-19(14)28)9-6-11-4-7-12(22)8-5-11/h4-5,7-8,10,15-17,21,29-30H,3H2,1-2H3,(H,23,31)(H,25,26,27)/t15-,16+,17-,21+/m0/s1
PubChem CID16115750
ChEMBLCHEMBL220386
IUPHARN/A
BindingDB50205720
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.2 nMPMID17309246BindingDB,ChEMBL

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