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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	SCHEMBL1716390
Molecular formula	C22H24FN5O2
IUPAC name	[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
Molecular weight	409.465
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.9
Synonyms	BDBM104689 US8569311, A-9 CHEMBL3235249
Inchi Key	SWJLISCOLSUHGG-IAGOWNOFSA-N
Inchi ID	InChI=1S/C22H24FN5O2/c1-15-3-7-20(28-25-9-10-26-28)19(11-15)22(29)27-13-17(5-4-16(27)2)14-30-21-8-6-18(23)12-24-21/h3,6-12,16-17H,4-5,13-14H2,1-2H3/t16-,17-/m1/s1
PubChem CID	25127493
ChEMBL	CHEMBL3235249
IUPHAR	N/A
BindingDB	104689
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
324937	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
324938	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
324935	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
324936	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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