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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	CHEMBL574502
Molecular formula	C23H22ClN7O3
IUPAC name	2-(4-chlorophenoxy)-N-[4-(furan-2-yl)-11-(3-methylbutyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]acetamide
Molecular weight	479.925
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.3
Synonyms	2-(4-chlorophenoxy)-N-(2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide BDBM50298495
Inchi Key	AELXUYMSGIUIDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22ClN7O3/c1-14(2)9-10-30-12-17-20(28-30)27-23(25-19(32)13-34-16-7-5-15(24)6-8-16)31-22(17)26-21(29-31)18-4-3-11-33-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,25,27,28,32)
PubChem CID	45482063
ChEMBL	CHEMBL574502
IUPHAR	N/A
BindingDB	50298495
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	2306.0 nM	PMID19501513	BindingDB,ChEMBL
pKi	-3.36 nM	PMID19501513	ChEMBL

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