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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	Benoxathian
Molecular formula	C19H23NO4S
IUPAC name	N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight	361.456
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	LS-187506 BDBM86232 NCGC00015120-02 2-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzoxathian CCG-204320 Lopac0_000225 NSC_2325 AC1L1DFC N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine 1,4-Benzoxathiin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro- NCGC00015120-03 LS-186845 AC1Q702C N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzoxathiin-2-methanamine 1,4-benzoxathiin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro- CAS_2325 CHEMBL191044 NCGC00162098-01 92642-94-9 [ Show all ]
Inchi Key	QAUVAHYHKLRJCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3
PubChem CID	2325
ChEMBL	CHEMBL191044
IUPHAR	N/A
BindingDB	86232
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
273747	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458
273746	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446

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