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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	CHEMBL3912855
Molecular formula	C23H30FN5O3S
IUPAC name	1-[3-[4-(2-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	US9181249, 122 BDBM191009 SCHEMBL16818320
Inchi Key	AITZOYIAARKTBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30FN5O3S/c1-15(2)25-22-23(27-20-14-29(16(3)30)13-10-19(20)26-22)28-11-8-17(9-12-28)33(31,32)21-7-5-4-6-18(21)24/h4-7,15,17H,8-14H2,1-3H3,(H,25,26)
PubChem CID	118159336
ChEMBL	CHEMBL3912855
IUPHAR	N/A
BindingDB	191009
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	0.247 nM	, None	BindingDB,ChEMBL
IC50	247000.0 nM	N/A	BindingDB

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