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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	SCHEMBL7907941
Molecular formula	C24H23N5O2
IUPAC name	[(2R,5R)-5-isoquinolin-1-yloxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight	413.481
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.5
Synonyms	US8710076, F-2 CHEMBL3394829 BDBM120778
Inchi Key	AQKJXQYTVDPWOS-IEBWSBKVSA-N
Inchi ID	InChI=1S/C24H23N5O2/c1-17-10-11-19(31-23-20-7-3-2-6-18(20)12-13-25-23)16-28(17)24(30)21-8-4-5-9-22(21)29-26-14-15-27-29/h2-9,12-15,17,19H,10-11,16H2,1H3/t17-,19-/m1/s1
PubChem CID	45259003
ChEMBL	CHEMBL3394829
IUPHAR	N/A
BindingDB	120778
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
11851	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
442163	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
11852	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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