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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	SCHEMBL4541596
Molecular formula	C22H24N4O3S
IUPAC name	6-(4,6-dimethoxypyrimidin-5-yl)-1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-2-one
Molecular weight	424.519
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.2
Synonyms	AERREAAADMJGLC-UHFFFAOYSA-N CHEMBL3903513 BDBM203090 6-(4,6-dimethoxypyrimidin-5-yl)-1-(3-(2-methylthiazol-4-yl)benzyl)piperidin-2-one US9242970, 269
Inchi Key	AERREAAADMJGLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N4O3S/c1-14-25-17(12-30-14)16-7-4-6-15(10-16)11-26-18(8-5-9-19(26)27)20-21(28-2)23-13-24-22(20)29-3/h4,6-7,10,12-13,18H,5,8-9,11H2,1-3H3
PubChem CID	69085145
ChEMBL	CHEMBL3903513
IUPHAR	N/A
BindingDB	203090
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
536016	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
536015	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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