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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	4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)nicotinonitrile
Molecular formula	C17H18N2O2S2
IUPAC name	4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile
Molecular weight	346.463
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.5
Synonyms	HMS2470C04 ZINC470642 500105-22-6 AM-807/43277212 MolPort-000-920-978 CHEMBL1570853 SMR000073750 4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile AC1LHWBI MCULE-8426437809 BAS 06900261 MolPort-015-160-532 4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)pyridine-3-carbonitrile HMS1685J03 STK932236 4,6-Dimethyl-2-[2-(toluene-4-sulfonyl)-ethylsulfanyl]-nicotinonitrile AKOS003681065 MLS000062838 RSC000787 4,6-dimethyl-2-({2-[(4-methylphenyl)sulfonyl]ethyl}thio)nicotinonitrile [ Show all ]
Inchi Key	ABSLNFJKZQBBAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S2/c1-12-4-6-15(7-5-12)23(20,21)9-8-22-17-16(11-18)13(2)10-14(3)19-17/h4-7,10H,8-9H2,1-3H3
PubChem CID	894037
ChEMBL	CHEMBL1570853
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
1137	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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