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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	332358-89-1
Molecular formula	C21H23NO4S
IUPAC name	2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
Molecular weight	385.478
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BIM-0041645.P001 MCULE-8099401256 SR-01000456348-1 2-[(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolyl)methylthio]benzoic acid CHEMBL1538778 Oprea1_345901 ZINC858886 AKOS000300934 HMS2633M24 SMR000272708 2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin-1-yl-methylsulfanyl)benzoic acid CBMicro_041653 MLS000706542 ST50252039 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid AC1LM2IF CTK4H0237 Oprea1_534911 BAS 01365875 HMS3359J02 SR-01000456348 2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid MolPort-001-962-839 TR-042160 2-{[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methyl]sulfanyl}benzoic acid ACM332358891 DTXSID70360522 RTR-042160 2-((6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)methylthio)benzoic acid [ Show all ]
Inchi Key	ACPLMNUIXAQIPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO4S/c1-21(2)11-13-9-17(25-3)18(26-4)10-15(13)16(22-21)12-27-19-8-6-5-7-14(19)20(23)24/h5-10H,11-12H2,1-4H3,(H,23,24)
PubChem CID	1121308
ChEMBL	CHEMBL1538778
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
1764	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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