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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	CHEMBL3966731
Molecular formula	C27H36F2N6O2
IUPAC name	[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
Molecular weight	514.622
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.8
Synonyms	2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-3-(isopropylamino)-6-(methyl-L-prolyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine SCHEMBL16818119 2-(4-(2,4-difluorophenoxyl)piperidin-1-yl)-3-(isopropylamino)-6-(methyl-L-prolyl)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazine US9181249, 22 BDBM190911 FOEDAKAYIRFINY-QHCPKHFHSA-N [ Show all ]
Inchi Key	FOEDAKAYIRFINY-QHCPKHFHSA-N
Inchi ID	InChI=1S/C27H36F2N6O2/c1-17(2)30-25-26(34-12-8-19(9-13-34)37-24-7-6-18(28)15-20(24)29)32-21-10-14-35(16-22(21)31-25)27(36)23-5-4-11-33(23)3/h6-7,15,17,19,23H,4-5,8-14,16H2,1-3H3,(H,30,31)/t23-/m0/s1
PubChem CID	118159140
ChEMBL	CHEMBL3966731
IUPHAR	N/A
BindingDB	190911
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.0781 nM	, None	BindingDB,ChEMBL
IC50	78100.0 nM	N/A	BindingDB

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