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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	SCHEMBL3213197
Molecular formula	C23H27N7O2
IUPAC name	methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
Molecular weight	433.516
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.4
Synonyms	CHEMBL3895940 (r)-4-(4,5-dimethyl-6-pyridin-2-ylmethyl-pyridazin-3-yl)-2-methyl-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-5'-carboxylic acid methyl ester FWTCYLIISSHRAD-OAHLLOKOSA-N
Inchi Key	FWTCYLIISSHRAD-OAHLLOKOSA-N
Inchi ID	InChI=1S/C23H27N7O2/c1-15-14-29(9-10-30(15)21-13-25-20(12-26-21)23(31)32-4)22-17(3)16(2)19(27-28-22)11-18-7-5-6-8-24-18/h5-8,12-13,15H,9-11,14H2,1-4H3/t15-/m1/s1
PubChem CID	59191517
ChEMBL	CHEMBL3895940
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
538218	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787
538219	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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