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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

Namedisulfiram
Molecular formulaC10H20N2S4
IUPAC namediethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
Molecular weight296.524
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.9
SynonymsPerkait TETD
Bis((diethylamino)thioxomethyl)disulphide
HSDB 3317
1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetraethane
R531
[ Show all ]
Inchi KeyAUZONCFQVSMFAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
PubChem CID3117
ChEMBLCHEMBL964
IUPHARN/A
BindingDB50058655
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50356.0 nMDrugMatrix in vitro pharmacology dataChEMBL
Ki201.0 nMDrugMatrix in vitro pharmacology dataChEMBL

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