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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	AC1LEVMS
Molecular formula	C17H13NO2
IUPAC name	isoquinolin-1-yl-(4-methoxyphenyl)methanone
Molecular weight	263.296
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	CHEMBL549291 MCULE-3159782761 SR-01000746439-2 1-Isoquinolyl(4-methoxyphenyl)ketone HMS2708N15 Oprea1_799084 ZINC64907 AKOS000808019 isoquinolin-1-yl-(4-methoxyphenyl)methanone SMR000372949 EU-0047376 MLS000516298 ST50037065 IFLab1_005087 Oprea1_800642 isoquinolyl 4-methoxyphenyl ketone SR-01000746439 1-(4-Methoxybenzoyl)isoquinoline HMS1426H05 MolPort-000-422-269 STL488047 AEHSAUPWRMSRNX-UHFFFAOYSA-N isoquinolin-1-yl(4-methoxyphenyl)methanone SCHEMBL1445542 [ Show all ]
Inchi Key	AEHSAUPWRMSRNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H13NO2/c1-20-14-8-6-13(7-9-14)17(19)16-15-5-3-2-4-12(15)10-11-18-16/h2-11H,1H3
PubChem CID	693112
ChEMBL	CHEMBL549291
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
3476	Cannabinoid receptor 1	P20272	Cnr1	Rattus norvegicus (Rat)	473
3475	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360

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