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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 1
Molecular formula	C21H20N6O2
IUPAC name	2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight	388.431
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.0
Synonyms	2-{[(3R,6R)-6-Methyl-1-{[2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}piperidin-3-yl]oxy}pyridine-4-carbonitrile US20130102619, 1 CHEMBL3426137 SCHEMBL14876963 BDBM97406 FOEWIXNBXKVERV-NVXWUHKLSA-N [ Show all ]
Inchi Key	FOEWIXNBXKVERV-NVXWUHKLSA-N
Inchi ID	InChI=1S/C21H20N6O2/c1-15-6-7-17(29-20-12-16(13-22)8-9-23-20)14-26(15)21(28)18-4-2-3-5-19(18)27-24-10-11-25-27/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
PubChem CID	71543409
ChEMBL	CHEMBL3426137
IUPHAR	N/A
BindingDB	97406
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
83215	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
83217	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
83214	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
83216	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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