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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	635318-11-5
Molecular formula	C7H9NO6S
IUPAC name	(1R,4S,5S,6S)-4-amino-2,2-dioxo-2lambda6-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Molecular weight	235.21
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-4.8
Synonyms	(1R,4S,5S,6S)-4-amino-2,2-dioxo-26-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid 531QUG7P9E AS-19328 C7H9NO6S EX-A2094 MFCD11974011 X6978 (1S,2S,5R,6S)-2-amino-4,4-dioxo-4$l^{6}-thiabicyclo[3.1.0]hexane-2,6-dicarboxylic acid A8747 BCPP000181 CHEMBL375611 LY 404039 s6001 (-)-(1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide 318L115 AN-3553 C12H18N2O7S2 CTK2F1748 LY2140023/LY404039/ UNII-531QUG7P9E (1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide BC252688 CHEBI:94640 HY-50906 MolPort-009-679-373 X7608 1R,4S,5S,6S)-4-AMino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide ABP000193 BDBM50202407 CM11052 LY-404039 SB19521 (1R,4S,5S,6S)-4-amino-2,2-dioxo-2$l^{6}-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid API0005879 C21577 DTXSID40212943 LY404039 W-5502 (1R,4S,5S,6S)-4-[[(2S)-2-Amino-4-(methylthio)-1-oxobutyl]amino]-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide 635318-11-5 , C7H9NO6S , LY404039 , LY-404039 , LY 2140023 BCP9000869 KB-78254 NCGC00346612-01 ZINC13910898 2-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylicacid, 4-amino-, 2,2-dioxide, (1R,4S,5S,6S)- AKOS030526171 BRD-K49519144-001-01-2 CS-1345 LY2140023 (LY404039) SCHEMBL1088010 [ Show all ]
Inchi Key	AVDUGNCTZRCAHH-MDASVERJSA-N
Inchi ID	InChI=1S/C7H9NO6S/c8-7(6(11)12)1-15(13,14)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
PubChem CID	9834591
ChEMBL	CHEMBL375611
IUPHAR	N/A
BindingDB	50202407
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	23.4 nM	PMID17228865	BindingDB,ChEMBL
Ki	149.0 nM	PMID17228865	BindingDB,ChEMBL

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