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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

NameCHEMBL574701
Molecular formulaC21H17N7O5
IUPAC name(2S)-5-[3-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]propyl]-1,3-benzodioxole-2-carboxylic acid
Molecular weight447.411
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50298506
(S)-5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2-carboxylic acid
Inchi KeyAFOOOKGSRGDTCL-FQEVSTJZSA-N
Inchi IDInChI=1S/C21H17N7O5/c22-21-25-17-12(18-24-16(26-28(18)21)14-4-2-8-31-14)10-23-27(17)7-1-3-11-5-6-13-15(9-11)33-20(32-13)19(29)30/h2,4-6,8-10,20H,1,3,7H2,(H2,22,25)(H,29,30)/t20-/m0/s1
PubChem CID45482474
ChEMBLCHEMBL574701
IUPHARN/A
BindingDB50298506
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID19501513BindingDB,ChEMBL

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