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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL218837
Molecular formula	C19H20ClN7O5
IUPAC name	(2S,3S,4R,5R)-5-[6-[2-(4-chlorobenzoyl)hydrazinyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	461.863
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	0.9
Synonyms	1-deoxy-1-[6-(N''-(4-chlorobenzoyl)hydrazino)-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide BDBM50202563
Inchi Key	ADGZWPRSMZNOJQ-SSHHRWTQSA-N
Inchi ID	InChI=1S/C19H20ClN7O5/c1-2-21-18(31)14-12(28)13(29)19(32-14)27-8-24-11-15(22-7-23-16(11)27)25-26-17(30)9-3-5-10(20)6-4-9/h3-8,12-14,19,28-29H,2H2,1H3,(H,21,31)(H,26,30)(H,22,23,25)/t12-,13+,14-,19+/m0/s1
PubChem CID	16103163
ChEMBL	CHEMBL218837
IUPHAR	N/A
BindingDB	50202563
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	20.0 %	PMID17228880	ChEMBL
Ki	<5000.0 nM	PMID17228880	BindingDB,ChEMBL

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