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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

NameCHEMBL338501
Molecular formulaC21H14Cl2N4
IUPAC name3,4-dichloro-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
Molecular weight393.271
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
Synonyms3,4-dichloro-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
VUF-8471
3,4-Dichloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamidine
VUF8471
AC1LA7GQ
[ Show all ]
Inchi KeyAATUFSKEEYLIOJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H14Cl2N4/c22-16-9-8-14(11-17(16)23)20(24)27-21-15-6-2-1-5-13(15)12-19(26-21)18-7-3-4-10-25-18/h1-12H,(H2,24,26,27)
PubChem CID463104
ChEMBLCHEMBL338501
IUPHARN/A
BindingDB50067087
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2300000.0 nMPMID9767636BindingDB,ChEMBL

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