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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	CHEMBL3950698
Molecular formula	C26H31FN6O2
IUPAC name	4-[1-[6-(cyclopropanecarbonyl)-2-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl]piperidin-4-yl]oxy-3-fluorobenzonitrile
Molecular weight	478.572
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.3
Synonyms	SCHEMBL16818287 4-((1-(6-(cyclopropanecarbonyl)-2-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)oxy)-3-fluorobenzonitrile US9181249, 20 AUPDVTRYLMDISN-UHFFFAOYSA-N BDBM190909
Inchi Key	AUPDVTRYLMDISN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31FN6O2/c1-16(2)29-24-25(31-22-15-33(12-9-21(22)30-24)26(34)18-4-5-18)32-10-7-19(8-11-32)35-23-6-3-17(14-28)13-20(23)27/h3,6,13,16,18-19H,4-5,7-12,15H2,1-2H3,(H,29,30)
PubChem CID	118159302
ChEMBL	CHEMBL3950698
IUPHAR	N/A
BindingDB	190909
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	0.122 nM	, None	BindingDB,ChEMBL
IC50	122000.0 nM	N/A	BindingDB

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