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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	CHEMBL3669041
Molecular formula	C20H22BrN7O
IUPAC name	[(2S,3R)-3-[(5-bromopyridin-2-yl)amino]-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)pyridin-2-yl]methanone
Molecular weight	456.348
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.6
Synonyms	BDBM175190 SCHEMBL16031798 US9115117, 92
Inchi Key	DWCUIOSJUIMPEX-GOEBONIOSA-N
Inchi ID	InChI=1S/C20H22BrN7O/c1-13-10-17(28-24-7-8-25-28)19(23-11-13)20(29)27-9-3-4-16(14(27)2)26-18-6-5-15(21)12-22-18/h5-8,10-12,14,16H,3-4,9H2,1-2H3,(H,22,26)/t14-,16+/m0/s1
PubChem CID	90405596
ChEMBL	CHEMBL3669041
IUPHAR	N/A
BindingDB	175190
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
471609	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517671	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
471608	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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