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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	Orexin receptor antagonist 9
Molecular formula	C22H22N6O2
IUPAC name	2-[(3R,6R)-6-methyl-1-[4-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight	402.458
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.4
Synonyms	CHEMBL3642123 US20130102619, 9 BDBM97378 SCHEMBL14877048
Inchi Key	HVKZCWBOKSNHRN-SJLPKXTDSA-N
Inchi ID	InChI=1S/C22H22N6O2/c1-15-3-6-19(20(11-15)28-25-9-10-26-28)22(29)27-14-18(5-4-16(27)2)30-21-12-17(13-23)7-8-24-21/h3,6-12,16,18H,4-5,14H2,1-2H3/t16-,18-/m1/s1
PubChem CID	71526299
ChEMBL	CHEMBL3642123
IUPHAR	N/A
BindingDB	97378
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
125055	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
125056	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
125057	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
125058	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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