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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

NameSCHEMBL1497826
Molecular formulaC22H20Cl3N3OS
IUPAC name[2-amino-4-[[4-(3,5-dichlorophenyl)piperazin-1-yl]methyl]thiophen-3-yl]-(4-chlorophenyl)methanone
Molecular weight480.832
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.5
SynonymsCHEMBL1934873
Inchi KeyACGNVIYHWCNNLW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20Cl3N3OS/c23-16-3-1-14(2-4-16)21(29)20-15(13-30-22(20)26)12-27-5-7-28(8-6-27)19-10-17(24)9-18(25)11-19/h1-4,9-11,13H,5-8,12,26H2
PubChem CID25068826
ChEMBLCHEMBL1934873
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition1.0 %PMID22182575ChEMBL

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