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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	CHEMBL3949818
Molecular formula	C25H31F4N5O3
IUPAC name	(2S)-1-[2-(2,2-difluoroethylamino)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-2-methoxypropan-1-one
Molecular weight	525.549
Hydrogen bond acceptor	11
Hydrogen bond donor	1
XlogP	3.9
Synonyms	(2S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxy)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one US9181249, 113 BDBM191000 CNIJPVCRGBRADO-LOACHALJSA-N (2S)-1-(2-(2,2-difluoroethylamino)-3-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-7-methyl-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)-2-methoxypropan-1-one SCHEMBL16818254 [ Show all ]
Inchi Key	CNIJPVCRGBRADO-LOACHALJSA-N
Inchi ID	InChI=1S/C25H31F4N5O3/c1-14-10-19-20(13-34(14)25(35)15(2)36-3)32-24(23(31-19)30-12-22(28)29)33-8-6-17(7-9-33)37-21-5-4-16(26)11-18(21)27/h4-5,11,14-15,17,22H,6-10,12-13H2,1-3H3,(H,30,31)/t14?,15-/m0/s1
PubChem CID	118159270
ChEMBL	CHEMBL3949818
IUPHAR	N/A
BindingDB	191000
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	0.0185 nM	None	ChEMBL
IC50	0.0209 nM	, None	BindingDB,ChEMBL
IC50	20900.0 nM	N/A	BindingDB

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