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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.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL8839
Molecular formula	C7H9NO4S
IUPAC name	(1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid
Molecular weight	203.212
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-3.5
Synonyms	(1beta,5beta)-4-Amino-2-thiabicyclo[3.1.0]hexane-4beta,6beta-dicarboxylic acid SCHEMBL2450641 222529-89-7 BDBM50074750 CTK1A0220 (1R,4S,5S,6S)-4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid 4-Amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid DTXSID40436647 2-Thiabicyclo[3.1.0]hexane-4,6-dicarboxylicacid, 4-amino-, (1R,4S,5S,6S)- [ Show all ]
Inchi Key	QBHIOYZCUZBIEN-MDASVERJSA-N
Inchi ID	InChI=1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
PubChem CID	10198133
ChEMBL	CHEMBL8839
IUPHAR	N/A
BindingDB	50074750
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	4.0 nM	PMID12166935	ChEMBL
EC50	3.9 nM	PMID10090786, PMID17228865	BindingDB,ChEMBL
EC50	3.91 nM	PMID10090786	ChEMBL
Ki	40.6 nM	PMID10090786, PMID17228865	BindingDB,ChEMBL
Ki	67.0 nM	PMID10090786	BindingDB
Ki	67.2 nM	PMID10090786	ChEMBL
Ki	819.0 nM	PMID10090786	ChEMBL

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