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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

NameCHEMBL2391843
Molecular formulaC22H21N7OS
IUPAC nameN-[5-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
Molecular weight431.518
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.0
SynonymsN/A
Inchi KeyAOXGNJOJNWIKAH-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21N7OS/c1-13-9-11-15(12-10-13)19(30)27-22-24-16(14-7-5-4-6-8-14)17(31-22)18-25-20(23)28-21(26-18)29(2)3/h4-12H,1-3H3,(H,24,27,30)(H2,23,25,26,28)
PubChem CID72197513
ChEMBLCHEMBL2391843
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki816.0 nMPMID23685887ChEMBL

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