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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	CHEMBL3908467
Molecular formula	C26H33F2N5O3
IUPAC name	[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-(oxolan-2-yl)methanone
Molecular weight	501.579
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.6
Synonyms	US9181249, 5 (2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(tetrahydrofuran-2-yl)methanone AJZJCRXVQJNSPO-UHFFFAOYSA-N (2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)(tetrahydrofuran-2-yl)methanone BDBM190894 SCHEMBL16818214 [ Show all ]
Inchi Key	AJZJCRXVQJNSPO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H33F2N5O3/c1-16(2)29-24-25(32-10-7-18(8-11-32)36-22-6-5-17(27)14-19(22)28)31-20-9-12-33(15-21(20)30-24)26(34)23-4-3-13-35-23/h5-6,14,16,18,23H,3-4,7-13,15H2,1-2H3,(H,29,30)
PubChem CID	118159231
ChEMBL	CHEMBL3908467
IUPHAR	N/A
BindingDB	190894
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.0179 nM	, None	BindingDB,ChEMBL
IC50	17900.0 nM	N/A	BindingDB

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