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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	CHEMBL111423
Molecular formula	C21H25NO3S
IUPAC name	ethyl 5-ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propylpyridine-3-carboxylate
Molecular weight	371.495
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	5.2
Synonyms	BDBM50190448 ethyl 5-(ethylthiocarbonyl)-6-methyl-2-phenyl-4-propylnicotinate 5-Ethylsulfanylcarbonyl-6-methyl-2-phenyl-4-propyl-nicotinic acid ethyl ester SCHEMBL7680732
Inchi Key	COIYLGMUGWDDPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25NO3S/c1-5-11-16-17(21(24)26-7-3)14(4)22-19(15-12-9-8-10-13-15)18(16)20(23)25-6-2/h8-10,12-13H,5-7,11H2,1-4H3
PubChem CID	10714291
ChEMBL	CHEMBL111423
IUPHAR	N/A
BindingDB	50190448
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	0.194 %	PMID9703464	ChEMBL
Ki	194.0 nM	PMID16821770	BindingDB,ChEMBL
Log Ki	6.71 uM	PMID10052977	ChEMBL

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