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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	446252-18-2
Molecular formula	C13H16N2O4
IUPAC name	propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Molecular weight	264.281
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	0.9
Synonyms	AKOS016037947 isopropyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate SR-01000365635-1 methylethyl 6-(2-furyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate AC1MCO57 HMS2157O14 propan-2-yl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate BAS 03539647 KB-198559 ST096529 5-pyrimidinecarboxylic acid,4-(2-furanyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-,1-methylethyl ester CHEMBL1490082 MolPort-000-481-835 AKOS000529881 HMS3318C20 SR-01000365635 BDBM50159491 MCULE-9478653261 STK819628 F1673-7008 Oprea1_672100 [ Show all ]
Inchi Key	AMVBLUKTOOTWMN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N2O4/c1-7(2)19-12(16)10-8(3)14-13(17)15-11(10)9-5-4-6-18-9/h4-7,11H,1-3H3,(H2,14,15,17)
PubChem CID	2748294
ChEMBL	CHEMBL1490082
IUPHAR	N/A
BindingDB	50159491
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	1.0 %	PMID26824742	ChEMBL
Inhibition	4.0 %	PMID24900602	ChEMBL

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