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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	CHEMBL1209455
Molecular formula	C26H22F3N5O
IUPAC name	[(3R)-3-methyl-4-[1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]piperazin-1-yl]-phenylmethanone
Molecular weight	477.491
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50323147 SCHEMBL3646034 ASPCZWIUJMXPKZ-QGZVFWFLSA-N (R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
Inchi Key	ASPCZWIUJMXPKZ-QGZVFWFLSA-N
Inchi ID	InChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
PubChem CID	25226761
ChEMBL	CHEMBL1209455
IUPHAR	N/A
BindingDB	50323147
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
13402	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793
13403	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787

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