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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

NameCHEMBL1094143
Molecular formulaC25H19N5O
IUPAC nameN-(2-benzyl-6-phenylpyrazolo[3,4-d]pyrimidin-4-yl)benzamide
Molecular weight405.461
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50318270
N-(2-benzyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide
Inchi KeyACNFYYUXBQGWQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19N5O/c31-25(20-14-8-3-9-15-20)28-23-21-17-30(16-18-10-4-1-5-11-18)29-24(21)27-22(26-23)19-12-6-2-7-13-19/h1-15,17H,16H2,(H,26,27,28,29,31)
PubChem CID46238064
ChEMBLCHEMBL1094143
IUPHARN/A
BindingDB50318270
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5053.0 nMPMID20408530BindingDB,ChEMBL
Ki3.0 nMPMID20408530BindingDB,ChEMBL

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