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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 8
Species	Homo sapiens (Human)
Gene	GRM8
Synonym	mGluR8b mGluR8 mGlu8 receptor Gprc1h glutamate receptor GLUR8 [ Show all ]
Disease	N/A
Length	908
Amino acid sequence	MVCEGKRSASCPCFFLLTAKFYWILTMMQRTHSQEYAHSIRVDGDIILGGLFPVHAKGERGVPCGELKKEKGIHRLEAMLYAIDQINKDPDLLSNITLGVRILDTCSRDTYALEQSLTFVQALIEKDASDVKCANGDPPIFTKPDKISGVIGAAASSVSIMVANILRLFKIPQISYASTAPELSDNTRYDFFSRVVPPDSYQAQAMVDIVTALGWNYVSTLASEGNYGESGVEAFTQISREIGGVCIAQSQKIPREPRPGEFEKIIKRLLETPNARAVIMFANEDDIRRILEAAKKLNQSGHFLWIGSDSWGSKIAPVYQQEEIAEGAVTILPKRASIDGFDRYFRSRTLANNRRNVWFAEFWEENFGCKLGSHGKRNSHIKKCTGLERIARDSSYEQEGKVQFVIDAVYSMAYALHNMHKDLCPGYIGLCPRMSTIDGKELLGYIRAVNFNGSAGTPVTFNENGDAPGRYDIFQYQITNKSTEYKVIGHWTNQLHLKVEDMQWAHREHTHPASVCSLPCKPGERKKTVKGVPCCWHCERCEGYNYQVDELSCELCPLDQRPNMNRTGCQLIPIIKLEWHSPWAVVPVFVAILGIIATTFVIVTFVRYNDTPIVRASGRELSYVLLTGIFLCYSITFLMIAAPDTIICSFRRVFLGLGMCFSYAALLTKTNRIHRIFEQGKKSVTAPKFISPASQLVITFSLISVQLLGVFVWFVVDPPHIIIDYGEQRTLDPEKARGVLKCDISDLSLICSLGYSILLMVTCTVYAIKTRGVPETFNEAKPIGFTMYTTCIIWLAFIPIFFGTAQSAEKMYIQTTTLTVSMSLSASVSLGMLYMPKVYIIIFHPEQNVQKRKRSFKAVVTAATMQSKLIQKGNDRPNGEVKSELCESLETNTSSTKTTYISYSNHSI
UniProt	O00222
Protein Data Bank	6bsz, 6bt5, 6e5v
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 6bsz.
BioLiP	BL0432251,BL0432252, BL0403876,BL0403877, BL0403874,BL0403875
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3228
IUPHAR	296
DrugBank	BE0000835

Ligand

Name	AC1N2AWG
Molecular formula	C24H24N2O4S
IUPAC name	methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate
Molecular weight	436.526
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.1
Synonyms	MCULE-3698874590 VU0155094-4 methyl 4-[3-[2-(4-acetamidophenyl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate ZINC8688033 CHEMBL1585091 MolPort-005-870-139 731006-86-3 methyl 4-(3-(2-((4-acetamidophenyl)thio)acetyl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate VU0155094-5 AKOS033931412 ML397 HMS2553G20 SMR000264819 AB00550680-02 methyl 4-(3-{2-[(4-acetamidophenyl)sulfanyl]acetyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate Z25065658 MLS000418059 [ Show all ]
Inchi Key	BCNKQXDDMIBITO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24N2O4S/c1-15-13-22(16(2)26(15)20-9-5-18(6-10-20)24(29)30-4)23(28)14-31-21-11-7-19(8-12-21)25-17(3)27/h5-13H,14H2,1-4H3,(H,25,27)
PubChem CID	4043841
ChEMBL	CHEMBL1585091
IUPHAR	N/A
BindingDB	N/A
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	730.0 nM	PubChem BioAssay data set	ChEMBL
EC50	930.0 nM	PubChem BioAssay data set	ChEMBL
EC50	1800.0 nM	PubChem BioAssay data set	ChEMBL

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