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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	CHEMBL3951645
Molecular formula	C26H35FN6O3
IUPAC name	3-(cyclobutylamino)-2-[4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
Molecular weight	498.603
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.2
Synonyms	SCHEMBL16818309 3-(cyclobutylamino)-2-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide US9181249, 95 BDBM190982 GENCHWDTLHDGDV-UHFFFAOYSA-N
Inchi Key	GENCHWDTLHDGDV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H35FN6O3/c1-31(2)26(34)33-14-11-21-22(16-33)29-24(28-17-5-4-6-17)25(30-21)32-12-9-18(10-13-32)36-23-8-7-19(35-3)15-20(23)27/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3,(H,28,29)
PubChem CID	118159324
ChEMBL	CHEMBL3951645
IUPHAR	N/A
BindingDB	190982
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	0.0325 nM	, None	BindingDB,ChEMBL
IC50	32500.0 nM	N/A	BindingDB

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