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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 A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

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	240.0 nM	PMID10841801	BindingDB,ChEMBL
Ki	240000.0 nM	PMID9767637, PMID9767636	BindingDB,ChEMBL

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