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GLASS

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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	CHEMBL446264
Molecular formula	C8H10BrN5
IUPAC name	8-bromo-9-propan-2-ylpurin-6-amine
Molecular weight	256.107
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.4
Synonyms	BDBM50256895 D06KYP 8-Bromo-9-isopropyl-9H-adenine AKOS024116282
Inchi Key	AFKIJCJUVRTHPD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10BrN5/c1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7/h3-4H,1-2H3,(H2,10,11,12)
PubChem CID	44572292
ChEMBL	CHEMBL446264
IUPHAR	N/A
BindingDB	50256895
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	15000.0 nM	PMID19282184	BindingDB,ChEMBL

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