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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	CHEMBL3717583
Molecular formula	C23H23F4N5
IUPAC name	N-cyclopropyl-3-[4-[(2,5-difluorophenyl)-difluoromethyl]piperidin-1-yl]-5-methylpyrido[3,4-b]pyrazin-2-amine
Molecular weight	445.466
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	5.0
Synonyms	SCHEMBL17007667
Inchi Key	CWQBBCKXEGCVHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23F4N5/c1-13-20-19(6-9-28-13)30-21(29-16-3-4-16)22(31-20)32-10-7-14(8-11-32)23(26,27)17-12-15(24)2-5-18(17)25/h2,5-6,9,12,14,16H,3-4,7-8,10-11H2,1H3,(H,29,30)
PubChem CID	118308547
ChEMBL	CHEMBL3717583
IUPHAR	N/A
BindingDB	N/A
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	45.0 nM	None	ChEMBL

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