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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	CHEMBL382194
Molecular formula	C18H20IN7O4
IUPAC name	[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-3-yl]urea
Molecular weight	525.307
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	0.4
Synonyms	N6-(3-iodobenzyl)-9-(3-deoxy-3-ureido-B-D-ribofuranosyl)adenine BDBM50185932 MRS-3481
Inchi Key	ABGDLYABGFCQLB-CTWCOEIASA-N
Inchi ID	InChI=1S/C18H20IN7O4/c19-10-3-1-2-9(4-10)5-21-15-13-16(23-7-22-15)26(8-24-13)17-14(28)12(25-18(20)29)11(6-27)30-17/h1-4,7-8,11-12,14,17,27-28H,5-6H2,(H3,20,25,29)(H,21,22,23)/t11-,12-,14-,17-/m1/s1
PubChem CID	11584486
ChEMBL	CHEMBL382194
IUPHAR	N/A
BindingDB	50185932
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	180.0 nM	PMID16640329	BindingDB,ChEMBL
Inhibition	9.0 %	PMID16640329	ChEMBL
Ki	<10000.0 nM	PMID16640329	BindingDB,ChEMBL
Ki	<100000.0 nM	PMID16640329	BindingDB,ChEMBL
Ki	220.0 nM	PMID16640329	BindingDB,ChEMBL
Ki	470.0 nM	PMID16640329	BindingDB,ChEMBL

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