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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	851371-22-7
Molecular formula	C17H12N6O
IUPAC name	4-(furan-2-yl)-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine
Molecular weight	316.324
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	AJ-64550 D08ECB UNII-168SF9F04E 4'-(2-Furyl)-N-(3-pyridinyl)-4,5'-bipyrimidin-2'-amine 4-furan-2-yl-N-pyridin-3-yl-5-pyrimidin-4-ylpyrimidin-2-amine BDBM50211685 Kinome_3729 ZINC13981593 (4'-FURAN-2-YL-[4,5']BIPYRIMIDINYL-2'-YL)-PYRIDIN-3-YL-AMINE CHEMBL375293 MolPort-029-940-546 4''-(2-furyl)-N-pyridin-3-yl-4,5''-bipyrimidin-2''-amine AKOS022179022 DTXSID90471104 Y1268 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine C17H12N6O LAS-38096 [4,5'-Bipyrimidin]-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- (4,5'-Bipyrimidin)-2'-amine, 4'-(2-furanyl)-N-3-pyridinyl- Adenosine A2b receptor antagonists (inflammation), Almirall CTK2I4385 SCHEMBL5239713 4''-(furan-2-yl)-N-(pyridin-3-yl)-4,5''-bipyrimidin-2''-amine AS-19599 GTPL5617 YRPIMMMBNUUYLG-UHFFFAOYSA-N 4'-(Furan-2-yl)-N-(pyridin-3-yl)-[4,5'-bipyrimidin]-2'-amine LAS38096 168SF9F04E [ Show all ]
Inchi Key	YRPIMMMBNUUYLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H12N6O/c1-3-12(9-18-6-1)22-17-20-10-13(14-5-7-19-11-21-14)16(23-17)15-4-2-8-24-15/h1-11H,(H,20,22,23)
PubChem CID	11716665
ChEMBL	CHEMBL375293
IUPHAR	5617
BindingDB	50211685
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	36.0 %	PMID17469811	ChEMBL
Ki	<1000.0 nM	PMID17469811	BindingDB,ChEMBL
Ki	1043.0 nM	PMID17469811, PMID20137946, PMID20137946	BindingDB,IUPHAR,ChEMBL

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