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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	G-protein coupled receptor 6
Species	Homo sapiens (Human)
Gene	GPR6
Synonym	GPR6 Sphingosine 1-phosphate receptor GPR6
Disease	N/A
Length	362
Amino acid sequence	MNASAASLNDSQVVVVAAEGAAAAATAAGGPDTGEWGPPAAAALGAGGGANGSLELSSQLSAGPPGLLLPAVNPWDVLLCVSGTVIAGENALVVALIASTPALRTPMFVLVGSLATADLLAGCGLILHFVFQYLVPSETVSLLTVGFLVASFAASVSSLLAITVDRYLSLYNALTYYSRRTLLGVHLLLAATWTVSLGLGLLPVLGWNCLAERAACSVVRPLARSHVALLSAAFFMVFGIMLHLYVRICQVVWRHAHQIALQQHCLAPPHLAATRKGVGTLAVVLGTFGASWLPFAIYCVVGSHEDPAVYTYATLLPATYNSMINPIIYAFRNQEIQRALWLLLCGCFQSKVPFRSRSPSEV
UniProt	P46095
Protein Data Bank	N/A
GPCR-HGmod model	P46095
3D structure model	This predicted structure model is from GPCR-EXP P46095.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3714130
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3979906
Molecular formula	C23H30FN5O3S
IUPAC name	1-[3-[4-(3-fluorophenyl)sulfonylpiperidin-1-yl]-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight	475.583
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.3
Synonyms	BDBM191007 SCHEMBL16818374 US9181249, 120
Inchi Key	DMHZAYPNRXURFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30FN5O3S/c1-15(2)25-22-23(27-21-14-29(16(3)30)12-9-20(21)26-22)28-10-7-18(8-11-28)33(31,32)19-6-4-5-17(24)13-19/h4-6,13,15,18H,7-12,14H2,1-3H3,(H,25,26)
PubChem CID	118159384
ChEMBL	CHEMBL3979906
IUPHAR	N/A
BindingDB	191007
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.2498 nM	, None	BindingDB,ChEMBL
IC50	249800.0 nM	N/A	BindingDB

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