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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	CHEMBL3940225
Molecular formula	C23H27F4N5O2
IUPAC name	1-[3-(2,2-difluoroethylamino)-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular weight	481.496
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.6
Synonyms	US9181249, 29 1-(3-(2,2-difluoroethylamino)-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone BDBM190918 DEVKCOJYOBVAJW-UHFFFAOYSA-N 1-(3-(2,2-difluoroethylamino)-2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-5-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone SCHEMBL16818096 [ Show all ]
Inchi Key	DEVKCOJYOBVAJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27F4N5O2/c1-13-21-18(7-10-32(13)14(2)33)29-23(22(30-21)28-12-20(26)27)31-8-5-16(6-9-31)34-19-4-3-15(24)11-17(19)25/h3-4,11,13,16,20H,5-10,12H2,1-2H3,(H,28,30)
PubChem CID	118159119
ChEMBL	CHEMBL3940225
IUPHAR	N/A
BindingDB	190918
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	0.178 nM	, None	BindingDB,ChEMBL
IC50	178000.0 nM	N/A	BindingDB

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