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GLASS

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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	CHEMBL3909497
Molecular formula	C24H32F2N6O2
IUPAC name	2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-N,N-dimethyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
Molecular weight	474.557
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.2
Synonyms	2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide SCHEMBL16818234 2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-3-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide US9181249, 85 BDBM190972 FEEMZVMCVWMCAB-UHFFFAOYSA-N [ Show all ]
Inchi Key	FEEMZVMCVWMCAB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H32F2N6O2/c1-15(2)27-22-23(29-19-9-12-32(14-20(19)28-22)24(33)30(3)4)31-10-7-17(8-11-31)34-21-6-5-16(25)13-18(21)26/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,27,28)
PubChem CID	118159250
ChEMBL	CHEMBL3909497
IUPHAR	N/A
BindingDB	190972
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	0.0104 nM	, None	BindingDB,ChEMBL
IC50	10400.0 nM	N/A	BindingDB

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