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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	SCHEMBL1830420
Molecular formula	C24H25F3N6O2
IUPAC name	2-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
Molecular weight	486.499
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	4.1
Synonyms	2-[(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2-methyl-piperazin-1-yl]-4-trifluoromethyl-pyrimidine-5-carboxylic acid CHEMBL3910002 BNEJONAXBWWXKD-CQSZACIVSA-N
Inchi Key	BNEJONAXBWWXKD-CQSZACIVSA-N
Inchi ID	InChI=1S/C24H25F3N6O2/c1-14-13-32(21-16(3)15(2)19(30-31-21)11-17-7-5-4-6-8-17)9-10-33(14)23-28-12-18(22(34)35)20(29-23)24(25,26)27/h4-8,12,14H,9-11,13H2,1-3H3,(H,34,35)/t14-/m1/s1
PubChem CID	67176532
ChEMBL	CHEMBL3910002
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

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
536701	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793
536702	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787

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