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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	SCHEMBL3213258
Molecular formula	C24H30N6O2
IUPAC name	1-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethane-1,2-diol
Molecular weight	434.544
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.7
Synonyms	1-[(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-5'-yl)-ethane-1,2-diol CHEMBL3971008 1-[(R)-4-(6-Benzyl-4,5-dimethyl-pyridazin-3-yl)-2methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-5'-yl)-ethane-1,2-diol GRPLFVZGLYQPHG-XESZBRCGSA-N
Inchi Key	GRPLFVZGLYQPHG-XESZBRCGSA-N
Inchi ID	InChI=1S/C24H30N6O2/c1-16-14-29(9-10-30(16)23-13-25-21(12-26-23)22(32)15-31)24-18(3)17(2)20(27-28-24)11-19-7-5-4-6-8-19/h4-8,12-13,16,22,31-32H,9-11,14-15H2,1-3H3/t16-,22?/m1/s1
PubChem CID	59191595
ChEMBL	CHEMBL3971008
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
538528	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787
538529	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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