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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	CHEMBL16724
Molecular formula	C19H18N4O5
IUPAC name	2-[4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]phenoxy]acetic acid
Molecular weight	382.376
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.0
Synonyms	[4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid 2-[4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-bis(2-propenyl)-7H-purine-8-yl)phenoxy]acetic acid Xanthin, 1,3-diallyl-8-[4-carboxymethoxypheny]- AC1LBTF9 [4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid # 2-[4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]phenoxy]acetic acid Xanthine, 1,3-diallyl-8-[4-carboxymethoxypheny]- BDBM50037435 CZKQVHBXRSZWAF-UHFFFAOYSA-N [ Show all ]
Inchi Key	CZKQVHBXRSZWAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25)
PubChem CID	541903
ChEMBL	CHEMBL16724
IUPHAR	N/A
BindingDB	50037435
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	816.0 nM	PMID10737749	BindingDB,ChEMBL

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