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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	MPEP
Molecular formula	C14H11N
IUPAC name	2-methyl-6-(2-phenylethynyl)pyridine
Molecular weight	193.249
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.3
Synonyms	7VC0YVI27Y BRD-K60690191-003-02-1 DB-014655 Lopac-M-5435 NCGC00015682-03 s2809 ZX-AN014840 2-Methyl-6-(phenylethynyl)pyridine 2-Picoline, 6-phenylethynyl- AC1MHGB1 GTPL1426 MLS006011229 NCGC00025044-01 SW219533-1 6-methyl-2-(2-phenylethynyl)pyridine BCP05962 D0IO8J KB-78955 NCGC00015682-01 Pyridine, 2-methyl-6-(2-phenylethynyl)- Y0463 2-methyl-6-(phenyl-ethynyl)pyridine 2-Methyl-6-phenylethynyl-pyridine 96206-92-7 CCG-204823 DTXSID9043982 Lopac0_000738 NCGC00015682-04 SCHEMBL103061 [3H]-2-methyl-6-(phenylethynyl)-pyridine 2151AH AKOS006275850 CHEMBL66654 HMS3651F13 MolPort-003-958-770 NCGC00025044-02 Tocris-1212 6-Methyl-2-(phenylethynyl)pyridine BDBM50084137 D0R8TZ L000408 NCGC00015682-02 Pyridine, 2-methyl-6-(phenylethynyl)- ZINC2581406 2-methyl-6-(phenylethynyl)-pyridine 2-Methyl-6-phenylethynyl-pyridine(MPEP) AB0035962 CHEBI:64159 F2167-5303 LS-131827 NCGC00015682-05 SMR004702989 AM81262 CS-0794 HY-14609A NCGC00025044-03 UNII-7VC0YVI27Y 2-methyl-6-(2-phenylethynyl)pyridine [ Show all ]
Inchi Key	NEWKHUASLBMWRE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
PubChem CID	3025961
ChEMBL	CHEMBL66654
IUPHAR	1426
BindingDB	50084137
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Bmax	4.4 pmol	PMID23046966	ChEMBL
IC50	1.5 nM	PMID17569516	BindingDB,ChEMBL
IC50	2.0 nM	PMID12519057, PMID12565928	BindingDB,ChEMBL
IC50	2.3 nM	PMID23357634	BindingDB,ChEMBL
IC50	4.0 nM	PMID17196387	BindingDB,ChEMBL
IC50	10.0 nM	PMID18304814	BindingDB,ChEMBL
IC50	11.0 nM	PMID26014480, PMID12565928	BindingDB,ChEMBL
IC50	11.2 nM	PMID26014480	ChEMBL
IC50	19.9526 - 39.8107 nM	PMID11814808, PMID10530811	IUPHAR
IC50	20.0 nM	PMID11814808	BindingDB,ChEMBL
IC50	22.0 nM	PMID16839764, PMID16481165	BindingDB,ChEMBL
IC50	29.0 nM	PMID17196387	BindingDB,ChEMBL
IC50	32.0 nM	PMID26112438	BindingDB,ChEMBL
IC50	36.0 nM	PMID10639281, PMID11814808	BindingDB,ChEMBL
IC50	39.0 nM	PMID16678408, PMID16451073	BindingDB,ChEMBL
Inhibition	<70.0 %	PMID19445453	ChEMBL
Kd	8.6 nM	PMID23046966	BindingDB,ChEMBL
Ki	3.3 nM	PMID16040814	PDSP,BindingDB
Ki	3.4 nM	PMID23357634	BindingDB,ChEMBL
Ki	3.5 nM	PMID26706173	BindingDB,ChEMBL
Ki	6.7 nM	PMID16040814	PDSP,BindingDB
Ki	10.0 nM	PMID26014480	BindingDB
Ki	10.4 nM	PMID26014480	ChEMBL
Ki	13.0 nM	PMID19445453	BindingDB,ChEMBL
Ki	20.0 nM	PMID17110115, PMID11814808	PDSP,BindingDB,ChEMBL
Ki	28.0 nM	PMID16040814	PDSP,BindingDB
Ki	36.0 nM	PMID10893301	BindingDB,ChEMBL
Ki	36.31 nM	PMID20483612	BindingDB,ChEMBL

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