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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	CHEMBL3718285
Molecular formula	C23H22N6O2S
IUPAC name	3-[4-(benzenesulfonyl)piperazin-1-yl]-N-pyridin-3-ylquinoxalin-2-amine
Molecular weight	446.529
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.1
Synonyms	SCHEMBL15566369
Inchi Key	CRAUPLUIQQOCSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22N6O2S/c30-32(31,19-8-2-1-3-9-19)29-15-13-28(14-16-29)23-22(25-18-7-6-12-24-17-18)26-20-10-4-5-11-21(20)27-23/h1-12,17H,13-16H2,(H,25,26)
PubChem CID	90038375
ChEMBL	CHEMBL3718285
IUPHAR	N/A
BindingDB	N/A
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	4630.0 nM	None	ChEMBL

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