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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

NameCHEMBL376778
Molecular formulaC20H19N3O
IUPAC nameN-(4,6-diphenylpyrimidin-2-yl)-2-methylpropanamide
Molecular weight317.392
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL6502989
DTXSID50464193
BDBM50157654
N-(4,6-diphenylpyrimidin-2-yl)isobutyramide
CTK3E2640
[ Show all ]
Inchi KeyAGCKGTMTDBKSHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19N3O/c1-14(2)19(24)23-20-21-17(15-9-5-3-6-10-15)13-18(22-20)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,22,23,24)
PubChem CID11381543
ChEMBLCHEMBL376778
IUPHARN/A
BindingDB50157654
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity45.0 %PMID15588088ChEMBL
Inhibition45.0 %PMID21186795ChEMBL

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