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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

NameCHEMBL226719
Molecular formulaC19H17ClN6
IUPAC name3-[(2-chlorophenyl)methyl]-N-ethyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine
Molecular weight364.837
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50196021
3-(2-chlorobenzyl)-N-ethyl-5-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Inchi KeyCNULBBBLRPYEGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClN6/c1-2-21-18-16-19(23-17(22-18)13-8-4-3-5-9-13)26(25-24-16)12-14-10-6-7-11-15(14)20/h3-11H,2,12H2,1H3,(H,21,22,23)
PubChem CID16111749
ChEMBLCHEMBL226719
IUPHARN/A
BindingDB50196021
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>50.0 %PMID17028066ChEMBL

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