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GLASS

You can:

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	L-249313
Molecular formula	C18H16N4O2
IUPAC name	methyl 9-methyl-2-phenyl-5H-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylate
Molecular weight	320.352
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	1.6
Synonyms	9-Methyl-2-phenyl-5,9-dihydro-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylic acid methyl ester SCHEMBL13932309 AC1N966E CHEMBL52735 methyl 9-methyl-2-phenyl-5H-[1,2,4]triazolo[5,1-a][2,7]naphthyridine-6-carboxylate BDBM50059376 D0Y8SB [ Show all ]
Inchi Key	DBROFPXBIMMIMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16N4O2/c1-21-9-8-13-14(10-21)17-19-16(12-6-4-3-5-7-12)20-22(17)11-15(13)18(23)24-2/h3-10H,11H2,1-2H3
PubChem CID	4355631
ChEMBL	CHEMBL52735
IUPHAR	N/A
BindingDB	50059376
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	13.0 nM	PMID10636237, PMID9258367, PMID11170626, PMID9767636	BindingDB,ChEMBL
Ki	170.0 nM	PMID11262085	BindingDB,ChEMBL
Ki	172.0 nM	PMID9767636	BindingDB,ChEMBL

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