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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	CHEMBL3892898
Molecular formula	C22H27F4N5O3S
IUPAC name	N-(2,2-difluoroethyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-6-methylsulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
Molecular weight	517.544
Hydrogen bond acceptor	12
Hydrogen bond donor	1
XlogP	3.5
Synonyms	BNECLYPVBLBWJE-UHFFFAOYSA-N N-(2,2-difluoroethyl)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-6-(methylsulfonyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-amine US9181249, 112 N-(2,2-difluoroethyl)-3-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-7-methyl-6-(methylsulfonyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-amine BDBM190999 SCHEMBL16818248 [ Show all ]
Inchi Key	BNECLYPVBLBWJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27F4N5O3S/c1-13-9-17-18(12-31(13)35(2,32)33)29-22(21(28-17)27-11-20(25)26)30-7-5-15(6-8-30)34-19-4-3-14(23)10-16(19)24/h3-4,10,13,15,20H,5-9,11-12H2,1-2H3,(H,27,28)
PubChem CID	118159264
ChEMBL	CHEMBL3892898
IUPHAR	N/A
BindingDB	190999
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
536700	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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