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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	CHEMBL3935897
Molecular formula	C23H28F3N5
IUPAC name	N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-amine
Molecular weight	431.507
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM190955 SCHEMBL16818227 US9181249, 68
Inchi Key	GZJWUTGKWXOMFU-NRFANRHFSA-N
Inchi ID	InChI=1S/C23H28F3N5/c1-30-9-8-19-20(13-30)29-23(22(28-19)27-16-3-4-16)31-10-6-14(7-11-31)21(26)17-5-2-15(24)12-18(17)25/h2,5,12,14,16,21H,3-4,6-11,13H2,1H3,(H,27,28)/t21-/m0/s1
PubChem CID	118159243
ChEMBL	CHEMBL3935897
IUPHAR	N/A
BindingDB	190955
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	0.0152 nM	, None	BindingDB,ChEMBL
IC50	0.0265 nM	None	ChEMBL
IC50	15200.0 nM	N/A	BindingDB

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