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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

NameCHEMBL2413111
Molecular formulaC20H22N10O7
IUPAC name(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethylamino]purin-9-yl]oxolane-2-carboxamide
Molecular weight514.459
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-0.1
SynonymsN/A
Inchi KeyAGHBSDMIMVOTOO-KSVNGYGVSA-N
Inchi IDInChI=1S/C20H22N10O7/c1-2-21-19(33)16-14(31)15(32)20(36-16)29-8-26-13-17(24-7-25-18(13)29)23-6-5-22-9-3-4-10(30(34)35)12-11(9)27-37-28-12/h3-4,7-8,14-16,20,22,31-32H,2,5-6H2,1H3,(H,21,33)(H,23,24,25)/t14-,15+,16-,20+/m0/s1
PubChem CID73352175
ChEMBLCHEMBL2413111
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki56.23 nMPMID23200243ChEMBL

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