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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	MLS-0433928.0001
Molecular formula	C24H31N3O3S
IUPAC name	[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
Molecular weight	441.59
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.7
Synonyms	BDBM68297 MolPort-004-059-932 [4-(2,3-dimethylphenyl)piperazino][3-(piperidinosulfonyl)phenyl]methanone cid_2518725 ZINC3400161 AC1M8QYA [4-(2,3-dimethylphenyl)piperazin-1-yl][3-(piperidin-1-ylsulfonyl)phenyl]methanone SMR001315789 HMS3084G08 [4-(2,3-dimethylphenyl)-1-piperazinyl]-[3-(1-piperidinylsulfonyl)phenyl]methanone AKOS005230722 MLS002248314 [4-(2,3-dimethylphenyl)piperazino]-(3-piperidinosulfonylphenyl)methanone CHEMBL1704166 STL292658 MCULE-4358087272 [4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone [ Show all ]
Inchi Key	DOFHYXBPOKRVPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H31N3O3S/c1-19-8-6-11-23(20(19)2)25-14-16-26(17-15-25)24(28)21-9-7-10-22(18-21)31(29,30)27-12-4-3-5-13-27/h6-11,18H,3-5,12-17H2,1-2H3
PubChem CID	2518725
ChEMBL	CHEMBL1704166
IUPHAR	N/A
BindingDB	68297
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
64930	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
64929	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
64928	G-protein coupled receptor 35	Q9HC97	GPR35	Homo sapiens (Human)	309
64931	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
470924	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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