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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	CHEMBL3714860
Molecular formula	C23H20Cl2N6O
IUPAC name	4-chloro-3-[1-[7-chloro-2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl]piperidine-4-carbonyl]benzonitrile
Molecular weight	467.354
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.6
Synonyms	SCHEMBL15566383
Inchi Key	CJZSGQYXEQRDRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20Cl2N6O/c24-17-4-1-13(11-26)9-16(17)21(32)14-5-7-31(8-6-14)23-22(28-15-2-3-15)29-18-10-20(25)27-12-19(18)30-23/h1,4,9-10,12,14-15H,2-3,5-8H2,(H,28,29)
PubChem CID	90038387
ChEMBL	CHEMBL3714860
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	89.0 nM	None	ChEMBL

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