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GLASS

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GPCR

Name	Metabotropic glutamate receptor 2
Species	Homo sapiens (Human)
Gene	GRM2
Synonym	mGluR2 mGlu2 receptor metabotropic glutamate receptor 2 GPRC1B glutamate receptor
Disease	Central nervous system disease Anxiety disorder Bipolar disorder Major depressive disorder Mood disorder Psychiatric disorder Schizophrenia Alzheimer disease; Major depressive disorder [ Show all ]
Length	872
Amino acid sequence	MGSLLALLALLLLWGAVAEGPAKKVLTLEGDLVLGGLFPVHQKGGPAEDCGPVNEHRGIQRLEAMLFALDRINRDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLSRGADGSRHICPDGSYATHGDAPTAITGVIGGSYSDVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAMAEILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKVGRAMSRAAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTWVASDGWGALESVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSRNPWFREFWEQRFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNMHRALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEVRFDRFGDGIGRYNIFTYLRAGSGRYRYQKVGYWAEGLTLDTSLIPWASPSAGPLPASRCSEPCLQNEVKSVQPGEVCCWLCIPCQPYEYRLDEFTCADCGLGYWPNASLTGCFELPQEYIRWGDAWAVGPVTIACLGALATLFVLGVFVRHNATPVVKASGRELCYILLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCYSALLTKTNRIARIFGGAREGAQRPRFISPASQVAICLALISGQLLIVVAWLVVEAPGTGKETAPERREVVTLRCNHRDASMLGSLAYNVLLIALCTLYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCVSVSLSGSVVLGCLFAPKLHIILFQPQKNVVSHRAPTSRFGSAAARASSSLGQGSGSQFVPTVCNGREVVDSTTSSL
UniProt	Q14416
Protein Data Bank	5cnj, 5kzn, 5kzq, 5cni, 4xas, 4xaq
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 5cnj.
BioLiP	BL0365442, BL0324559,BL0324560, BL0324557,BL0324558, BL0306697,BL0306698, BL0306695,BL0306696, BL0365443
Therapeutic Target Database	T62820
ChEMBL	CHEMBL5137
IUPHAR	290
DrugBank	N/A

Ligand

Name	353231-17-1
Molecular formula	C21H19F3N2O4S
IUPAC name	2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
Molecular weight	452.448
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	4.1
Synonyms	2,2,2-TRIFLUORO-N-(4-(2-METHOXYPHENOXY)PHENYL)-N-(PYRIDIN-3-YLMETHYL)ETHANESULFONAMIDE AJ-26351 D08BXD LY487379 2,2,2-tris(fluoranyl)-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide API0007634 GTPL1402 NCGC00378807-01 LY-487,379 2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(3-pyridinylmethyl)ethanesulfonamide AKOS016013857 DTXSID10431366 N-(4-(2-Methoxyphenoxy)phenyl)-N-(2,2,2-trifluoroethanesulfonyl)pyrid-3-ylmethylamine AX8249515 KB-224796 SCHEMBL3805847 2,2,2-Trifluoro-ethanesulfonic acid [4-(2-methoxy-phenoxy)-phenyl]-pyridin-3-ylmethyl-amide A822730 CHEMBL108939 LY-487379 2,2,2-trifluoro-N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide ALMACYDZFBMGOR-UHFFFAOYSA-N FT-0715485 N-(4-(2-methoxyphenoxy)phenyl)-N-(2,2,2-trifluoroethylsulfonyl)pyrid-3-ylmethylamine 4-MPPTS BDBM50130608 LS-191567 ZINC1494188 [ Show all ]
Inchi Key	ALMACYDZFBMGOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19F3N2O4S/c1-29-19-6-2-3-7-20(19)30-18-10-8-17(9-11-18)26(14-16-5-4-12-25-13-16)31(27,28)15-21(22,23)24/h2-13H,14-15H2,1H3
PubChem CID	9825084
ChEMBL	CHEMBL108939
IUPHAR	1402
BindingDB	50130608
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	270.0 nM	PMID12852748	BindingDB,ChEMBL
EC50	1700.0 nM	PMID15501058, PMID15454221	BindingDB,ChEMBL
ED50	1.7 uM	PMID15380201	ChEMBL
IC50	<100000.0 nM	PMID12852748	BindingDB,ChEMBL
IC50	1584.89 nM	PMID12852748, PMID14500736, PMID15717213, PMID15149652	IUPHAR
Potentiation	52.0 %	PMID15380201, PMID15501058, PMID15454221	ChEMBL

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