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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 7
Species	Homo sapiens (Human)
Gene	GRM7
Synonym	GLUR7 glutamate receptor GPRC1G mGlu7 receptor mGlu7a receptor mGluR7 [ Show all ]
Disease	N/A
Length	915
Amino acid sequence	MVQLRKLLRVLTLMKFPCCVLEVLLCALAAAARGQEMYAPHSIRIEGDVTLGGLFPVHAKGPSGVPCGDIKRENGIHRLEAMLYALDQINSDPNLLPNVTLGARILDTCSRDTYALEQSLTFVQALIQKDTSDVRCTNGEPPVFVKPEKVVGVIGASGSSVSIMVANILRLFQIPQISYASTAPELSDDRRYDFFSRVVPPDSFQAQAMVDIVKALGWNYVSTLASEGSYGEKGVESFTQISKEAGGLCIAQSVRIPQERKDRTIDFDRIIKQLLDTPNSRAVVIFANDEDIKQILAAAKRADQVGHFLWVGSDSWGSKINPLHQHEDIAEGAITIQPKRATVEGFDAYFTSRTLENNRRNVWFAEYWEENFNCKLTISGSKKEDTDRKCTGQERIGKDSNYEQEGKVQFVIDAVYAMAHALHHMNKDLCADYRGVCPEMEQAGGKKLLKYIRNVNFNGSAGTPVMFNKNGDAPGRYDIFQYQTTNTSNPGYRLIGQWTDELQLNIEDMQWGKGVREIPASVCTLPCKPGQRKKTQKGTPCCWTCEPCDGYQYQFDEMTCQHCPYDQRPNENRTGCQDIPIIKLEWHSPWAVIPVFLAMLGIIATIFVMATFIRYNDTPIVRASGRELSYVLLTGIFLCYIITFLMIAKPDVAVCSFRRVFLGLGMCISYAALLTKTNRIYRIFEQGKKSVTAPRLISPTSQLAITSSLISVQLLGVFIWFGVDPPNIIIDYDEHKTMNPEQARGVLKCDITDLQIICSLGYSILLMVTCTVYAIKTRGVPENFNEAKPIGFTMYTTCIVWLAFIPIFFGTAQSAEKLYIQTTTLTISMNLSASVALGMLYMPKVYIIIFHPELNVQKRKRSFKAVVTAATMSSRLSHKPSDRPNGEAKTELCENVDPNSPAAKKKYVSYNNLVI
UniProt	Q14831
Protein Data Bank	5c5c, 3mq4
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 5c5c.
BioLiP	BL0319784,BL0319785,BL0319786,, BL0181059, BL0181060, BL0319782,BL0319783
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3777
IUPHAR	295
DrugBank	BE0000834

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	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 MCULE-3698874590 VU0155094-4 [ 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	1500.0 nM	PubChem BioAssay data set	ChEMBL
EC50	16200.0 nM	PubChem BioAssay data set	ChEMBL
EC50	28400.0 nM	PubChem BioAssay data set	ChEMBL

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