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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 33
Molecular formula	C23H20FN5O2
IUPAC name	2-[(3R,6R)-1-(3-fluoro-2-pyrimidin-2-ylbenzoyl)-6-methylpiperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight	417.444
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.1
Synonyms	BDBM97401 SCHEMBL14876953 CHEMBL3642146 US20130102619, 33
Inchi Key	LVTXYUFASHOVGN-NVXWUHKLSA-N
Inchi ID	InChI=1S/C23H20FN5O2/c1-15-6-7-17(31-20-12-16(13-25)8-11-26-20)14-29(15)23(30)18-4-2-5-19(24)21(18)22-27-9-3-10-28-22/h2-5,8-12,15,17H,6-7,14H2,1H3/t15-,17-/m1/s1
PubChem CID	71526569
ChEMBL	CHEMBL3642146
IUPHAR	N/A
BindingDB	97401
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
197639	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
197640	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
197638	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
197641	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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