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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	CHEMBL72287
Molecular formula	C22H16N2O
IUPAC name	1-phenyl-2-(3-pyridin-2-ylisoquinolin-1-yl)ethanone
Molecular weight	324.383
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.0
Synonyms	alpha-[3-(2-Pyridinyl)-1-isoquinolinyl]acetophenone 1-Phenyl-2-(3-pyridin-2-yl-isoquinolin-1-yl)-ethanone BDBM50067079
Inchi Key	AHTFEEDQBLMEDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H16N2O/c25-22(16-8-2-1-3-9-16)15-20-18-11-5-4-10-17(18)14-21(24-20)19-12-6-7-13-23-19/h1-14H,15H2
PubChem CID	10639706
ChEMBL	CHEMBL72287
IUPHAR	N/A
BindingDB	50067079
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	660.0 nM	PMID10841801	ChEMBL
Ki	660.0 nM	PMID10841801	BindingDB
Ki	660000.0 nM	PMID9767637, PMID9767636	BindingDB
Ki	660000.0 nM	PMID9767637, PMID9767636	ChEMBL

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