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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL218710
Molecular formula	C7H9NO5S
IUPAC name	(1R,4S,5S,6S)-4-amino-2-oxo-2lambda4-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Molecular weight	219.211
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	-5.1
Synonyms	(+)-(1R,2R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2-oxide LY-404040 (-)-(1R,2R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2-oxide [(1beta,5beta)-4-Amino-2-thiabicyclo[3.1.0]hexane-4beta,6beta-dicarboxylic acid]2-oxide BDBM50202406 LS-194071 (-)-(1R,2S,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2-oxide [ Show all ]
Inchi Key	PYCDNJSXQRXRFH-BPOMBSSQSA-N
Inchi ID	InChI=1S/C7H9NO5S/c8-7(6(11)12)1-14(13)4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+,14?/m1/s1
PubChem CID	10353365
ChEMBL	CHEMBL218710
IUPHAR	N/A
BindingDB	50202406
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	0.089 nM	PMID17228865	BindingDB,ChEMBL
EC50	18.1 nM	PMID17228865	BindingDB,ChEMBL
Ki	4.4 nM	PMID17228865	BindingDB,ChEMBL
Ki	508.0 nM	PMID17228865	BindingDB,ChEMBL

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