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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	CHEMBL602591
Molecular formula	C20H32N2O3S
IUPAC name	N-[3-(azepan-1-ylsulfonyl)-4,5-dimethylphenyl]-2,2-dimethylbutanamide
Molecular weight	380.547
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50304924 N-(3-(azepan-1-ylsulfonyl)-4,5-dimethylphenyl)-2,2-dimethylbutanamide
Inchi Key	BOFBXHXQNKHAHR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H32N2O3S/c1-6-20(4,5)19(23)21-17-13-15(2)16(3)18(14-17)26(24,25)22-11-9-7-8-10-12-22/h13-14H,6-12H2,1-5H3,(H,21,23)
PubChem CID	46224630
ChEMBL	CHEMBL602591
IUPHAR	N/A
BindingDB	50304924
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
28729	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
28730	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
28731	Cannabinoid receptor 2	Q9QZN9	Cnr2	Rattus norvegicus (Rat)	360

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