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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	CHEMBL3955601
Molecular formula	C25H28N6
IUPAC name	2-[1-(6-benzyl-4,5-dimethylpyridazin-3-yl)-4-methylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
Molecular weight	412.541
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.6
Synonyms	SCHEMBL13491313
Inchi Key	ACGRNOUTQGLSMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H28N6/c1-17-18(2)23(30-29-21(17)16-19-8-5-4-6-9-19)31-14-11-25(3,12-15-31)24-27-20-10-7-13-26-22(20)28-24/h4-10,13H,11-12,14-16H2,1-3H3,(H,26,27,28)
PubChem CID	70918868
ChEMBL	CHEMBL3955601
IUPHAR	N/A
BindingDB	N/A
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
535952	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793
535953	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787

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