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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Metabotropic glutamate receptor 5
Species	Rattus norvegicus (Rat)
Gene	Grm5
Synonym	glutamate receptor GPRC1E mGlu5 receptor mGluR5
Disease	N/A for non-human GPCRs
Length	1203
Amino acid sequence	MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLRSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNLRNPWFQEFWQHRFQCRLEGFAQENSKYNKTCNSSLTLRTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLDSLMKTNFTGVSGDMILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKNNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVIFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSTRGQHLWQRLSVHINKKENPNQTAVIKPFPKSTENRGPGAAAGGGSGPGVAGAGNAGCTATGGPEPPDAGPKALYDVAEAEESFPAAARPRSPSPISTLSHLAGSAGRTDDDAPSLHSETAARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAATPGPPGTPICSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQGATGVSPAQETPTGAESAPGKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
UniProt	P31424
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2564
IUPHAR	293
DrugBank	N/A

Ligand

Name	MTEP
Molecular formula	C11H8N2S
IUPAC name	2-methyl-4-(2-pyridin-3-ylethynyl)-1,3-thiazole
Molecular weight	200.259
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.3
Synonyms	3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine API0006876 FCH3417361 ZINC1489321 3-[2-(2-Methylthiazol-4-yl)ethynyl]pyridine CHEMBL292065 KB-274670 3-(2-(2-methylthiazol-4-yl)ethynyl)pyridine D09YDQ Pyridine, 3-[(2-methyl-4-thiazolyl)ethynyl]- 3-[(2-methyl-4-thiazolyl)ethynyl]pyridine BDBM50122758 GTPL3336 2-methyl-4-(pyridin-3-ylethynyl)thiazole 329205-68-7 CTK1B8867 mGluR5 Antagonist, MTEP 3-(2-Methyl-thiazol-4-ylethynyl)-pyridine ACN-027361 DTXSID30430775 SCHEMBL187254 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine IN1238 3-((2-Methyl-1,3-thiazol-4-yl)ethynyl)pyridine D00JLE [ Show all ]
Inchi Key	NRBNGHCYDWUVLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
PubChem CID	9794218
ChEMBL	CHEMBL292065
IUPHAR	3336
BindingDB	50122758
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	1.0 mg.kg-1	PMID12519057, PMID15225713	ChEMBL
ED50	7.0 mg.kg-1	PMID15225713	ChEMBL
IC50	5.0 nM	PMID21546249	BindingDB,ChEMBL
IC50	13.6 nM	PMID19445453	ChEMBL
IC50	14.0 nM	PMID19445453	BindingDB
IC50	110.0 nM	PMID22924094	BindingDB,ChEMBL
Ki	5.4 nM	PMID16040814	BindingDB
Ki	12.0 nM	PMID15225713	BindingDB,ChEMBL
Ki	16.0 nM	PMID12519057, PMID20382541, PMID26706173, PMID21546249	BindingDB,ChEMBL
Ki	17.8 nM	PMID16040814	BindingDB
Ki	38.5 nM	PMID26014480	ChEMBL
Ki	39.0 nM	PMID26014480	BindingDB
Ki	42.0 nM	PMID22924094	BindingDB,ChEMBL

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