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GLASS

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GPCR

Name	Metabotropic glutamate receptor 5
Species	Homo sapiens (Human)
Gene	GRM5
Synonym	mGlu5 receptor glutamate receptor GPRC1E mGluR5
Disease	Central nervous system disease Chronic neuropathic pain Fragile X syndrome Major depressive disorder; GERD; Chronic neuropathic pain Autism Anxiety disorder Alzheimer disease Unspecified Major depressive disorder Neuropathic pain; Migraine Neurological disease Mood disorder [ Show all ]
Length	1212
Amino acid sequence	MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSSRGQHLWQRLSIHINKKENPNQTAVIKPFPKSTESRGLGAGAGAGGSAGGVGATGGAGCAGAGPGGPESPDAGPKALYDVAEAEEHFPAPARPRSPSPISTLSHRAGSASRTDDDVPSLHSEPVARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAAPSPGVGAPLCSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQPAAGAQAAGDAARESPAAGPEAAAAKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
UniProt	P41594
Protein Data Bank	4oo9, 5cgc, 5cgd, 6ffh, 6ffi, 6n4x, 6n4y, 6n50, 6n51, 3lmk
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4oo9.
BioLiP	BL0176927,BL0176931, BL0176928,BL0176929,BL0176930, BL0281199, BL0322076, BL0322077, BL0407724, BL0438693, BL0438694, BL0438695,BL0438696,BL0438697, BL0407725, BL0438698,BL0438699
Therapeutic Target Database	T99347
ChEMBL	CHEMBL3227
IUPHAR	293
DrugBank	BE0001192

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
IC50	5.0 nM	PMID12519057, PMID15225713, PMID12565928, PMID15686941	BindingDB,ChEMBL
IC50	12.0 nM	PMID23434029	BindingDB,ChEMBL
IC50	47.0 nM	PMID26014480	BindingDB
IC50	47.3 nM	PMID26014480	ChEMBL
IC50	77.0 nM	PMID16839764	BindingDB,ChEMBL
IC50	462.0 nM	PMID16678408, PMID16451073	BindingDB,ChEMBL
Inhibition	<70.0 %	PMID19445453	ChEMBL
Ki	5.3 nM	PMID16040814	BindingDB
Ki	14.1 nM	PMID16040814	BindingDB
Ki	16.0 nM	PMID12473093	IUPHAR
Ki	32.7 nM	PMID26014480	ChEMBL
Ki	33.0 nM	PMID26014480	BindingDB

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