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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	MLS002402837
Molecular formula	C21H15NO5
IUPAC name	4-[4-(3-hydroxyprop-1-ynyl)-6,7-dimethoxy-1-oxoisochromen-3-yl]benzonitrile
Molecular weight	361.353
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	CHEMBL1720450 4-[4-(3-hydroxyprop-1-ynyl)-6,7-dimethoxy-1-oxo-2-benzopyran-3-yl]benzonitrile HMS3335N20 BDBM83141 cid_44142319 4-[4-(3-hydroxyprop-1-ynyl)-6,7-dimethoxy-1-oxoisochromen-3-yl]benzonitrile 4-[4-(3-hydroxyprop-1-ynyl)-1-keto-6,7-dimethoxy-isochromen-3-yl]benzonitrile HMS2210P09 4-[6,7-dimethoxy-1-oxidanylidene-4-(3-oxidanylprop-1-ynyl)isochromen-3-yl]benzenecarbonitrile SMR001370605 [ Show all ]
Inchi Key	AGSRWGUYAJFZFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H15NO5/c1-25-18-10-16-15(4-3-9-23)20(14-7-5-13(12-22)6-8-14)27-21(24)17(16)11-19(18)26-2/h5-8,10-11,23H,9H2,1-2H3
PubChem CID	44142319
ChEMBL	CHEMBL1720450
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
5173	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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