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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	CHEMBL3669048
Molecular formula	C20H20F3N7O2
IUPAC name	[5-methyl-3-(triazol-2-yl)pyridin-2-yl]-[(2S,3R)-2-methyl-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
Molecular weight	447.422
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	3.1
Synonyms	BDBM175199 SCHEMBL16031067 US9115117, 101
Inchi Key	DBJBNLOYFFSGGJ-XJKSGUPXSA-N
Inchi ID	InChI=1S/C20H20F3N7O2/c1-12-8-15(30-27-5-6-28-30)17(24-9-12)18(31)29-7-3-4-16(13(29)2)32-19-25-10-14(11-26-19)20(21,22)23/h5-6,8-11,13,16H,3-4,7H2,1-2H3/t13-,16+/m0/s1
PubChem CID	90404962
ChEMBL	CHEMBL3669048
IUPHAR	N/A
BindingDB	175199
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
469815	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517595	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
469816	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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