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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	CHEMBL3912899
Molecular formula	C24H29F4N5O3
IUPAC name	(2S)-1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-2-methoxypropan-1-one
Molecular weight	511.522
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	3.5
Synonyms	SCHEMBL16818157 US9181249, 99 BDBM190986 FQWWKVZBYLUHMI-AWEZNQCLSA-N (S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one
Inchi Key	FQWWKVZBYLUHMI-AWEZNQCLSA-N
Inchi ID	InChI=1S/C24H29F4N5O3/c1-14(35-2)24(34)33-10-7-18-19(13-33)31-23(22(30-18)29-12-21(27)28)32-8-5-16(6-9-32)36-20-4-3-15(25)11-17(20)26/h3-4,11,14,16,21H,5-10,12-13H2,1-2H3,(H,29,30)/t14-/m0/s1
PubChem CID	118159176
ChEMBL	CHEMBL3912899
IUPHAR	N/A
BindingDB	190986
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.0066 nM	None	ChEMBL
IC50	0.0083 nM	, None	BindingDB,ChEMBL
IC50	8300.0 nM	N/A	BindingDB

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