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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	CHEMBL124887
Molecular formula	C23H20N6O2
IUPAC name	5-[8-(4-phenylphenyl)-1H-[1,2,4]triazolo[5,1-f]purin-5-yl]pentanoic acid
Molecular weight	412.453
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50149132 SCHEMBL6629818 5-(8-Biphenyl-4-yl-3H-[1,2,4]triazolo[5,1-i]purin-5-yl)-pentanoic acid
Inchi Key	ACSUGMMZMHLDIS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20N6O2/c30-19(31)9-5-4-8-18-26-22-20(24-14-25-22)23-27-21(28-29(18)23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,24,25)(H,30,31)
PubChem CID	135484632
ChEMBL	CHEMBL124887
IUPHAR	N/A
BindingDB	50149132
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	9.1 nM	PMID15203160	BindingDB,ChEMBL

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