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GLASS

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GPCR

Name	Metabotropic glutamate receptor 1
Species	Homo sapiens (Human)
Gene	GRM1
Synonym	SCAR13 MGLUR1 mGlu1 receptor metabotropic glutamate receptor 1 GPRC1A glutamate receptor, metabotropic 1 glutamate receptor wobl [ Show all ]
Disease	Alzheimer disease; Huntington's disease Neurological disease Neuropathic pain Schizophrenia Pain
Length	1194
Amino acid sequence	MVGLLLFFFPAIFLEVSLLPRSPGRKVLLAGASSQRSVARMDGDVIIGALFSVHHQPPAEKVPERKCGEIREQYGIQRVEAMFHTLDKINADPVLLPNITLGSEIRDSCWHSSVALEQSIEFIRDSLISIRDEKDGINRCLPDGQSLPPGRTKKPIAGVIGPGSSSVAIQVQNLLQLFDIPQIAYSATSIDLSDKTLYKYFLRVVPSDTLQARAMLDIVKRYNWTYVSAVHTEGNYGESGMDAFKELAAQEGLCIAHSDKIYSNAGEKSFDRLLRKLRERLPKARVVVCFCEGMTVRGLLSAMRRLGVVGEFSLIGSDGWADRDEVIEGYEVEANGGITIKLQSPEVRSFDDYFLKLRLDTNTRNPWFPEFWQHRFQCRLPGHLLENPNFKRICTGNESLEENYVQDSKMGFVINAIYAMAHGLQNMHHALCPGHVGLCDAMKPIDGSKLLDFLIKSSFIGVSGEEVWFDEKGDAPGRYDIMNLQYTEANRYDYVHVGTWHEGVLNIDDYKIQMNKSGVVRSVCSEPCLKGQIKVIRKGEVSCCWICTACKENEYVQDEFTCKACDLGWWPNADLTGCEPIPVRYLEWSNIESIIAIAFSCLGILVTLFVTLIFVLYRDTPVVKSSSRELCYIILAGIFLGYVCPFTLIAKPTTTSCYLQRLLVGLSSAMCYSALVTKTNRIARILAGSKKKICTRKPRFMSAWAQVIIASILISVQLTLVVTLIIMEPPMPILSYPSIKEVYLICNTSNLGVVAPLGYNGLLIMSCTYYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITTCFAVSLSVTVALGCMFTPKMYIIIAKPERNVRSAFTTSDVVRMHVGDGKLPCRSNTFLNIFRRKKAGAGNANSNGKSVSWSEPGGGQVPKGQHMWHRLSVHVKTNETACNQTAVIKPLTKSYQGSGKSLTFSDTSTKTLYNVEEEEDAQPIRFSPPGSPSMVVHRRVPSAATTPPLPSHLTAEETPLFLAEPALPKGLPPPLQQQQQPPPQQKSLMDQLQGVVSNFSTAIPDFHAVLAGPGGPGNGLRSLYPPPPPPQHLQMLPLQLSTFGEELVSPPADDDDDSERFKLLQEYVYEHEREGNTEEDELEEEEEDLQAASKLTPDDSPALTPPSPFRDSVASGSSVPSSPVSESVLCTPPNVSYASVILRDYKQSSSTL
UniProt	Q13255
Protein Data Bank	4or2, 3ks9
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4or2.
BioLiP	BL0271871,BL0271876, BL0271872,BL0271873,BL0271874,, BL0174211,BL0174213, BL0174210,BL0174212
Therapeutic Target Database	T27137
ChEMBL	CHEMBL3772
IUPHAR	289
DrugBank	BE0000824

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	NCGC00025044-03 UNII-7VC0YVI27Y 2-methyl-6-(2-phenylethynyl)pyridine AM81262 CS-0794 HY-14609A NCGC00015682-03 s2809 ZX-AN014840 2-Methyl-6-(phenylethynyl)pyridine 7VC0YVI27Y BRD-K60690191-003-02-1 DB-014655 Lopac-M-5435 NCGC00025044-01 SW219533-1 2-Picoline, 6-phenylethynyl- AC1MHGB1 GTPL1426 MLS006011229 Pyridine, 2-methyl-6-(2-phenylethynyl)- Y0463 2-methyl-6-(phenyl-ethynyl)pyridine 6-methyl-2-(2-phenylethynyl)pyridine BCP05962 D0IO8J KB-78955 NCGC00015682-01 NCGC00015682-04 SCHEMBL103061 [3H]-2-methyl-6-(phenylethynyl)-pyridine 2-Methyl-6-phenylethynyl-pyridine 96206-92-7 CCG-204823 DTXSID9043982 Lopac0_000738 NCGC00025044-02 Tocris-1212 2151AH AKOS006275850 CHEMBL66654 HMS3651F13 MolPort-003-958-770 NCGC00015682-02 Pyridine, 2-methyl-6-(phenylethynyl)- ZINC2581406 2-methyl-6-(phenylethynyl)-pyridine 6-Methyl-2-(phenylethynyl)pyridine BDBM50084137 D0R8TZ L000408 NCGC00015682-05 SMR004702989 2-Methyl-6-phenylethynyl-pyridine(MPEP) AB0035962 CHEBI:64159 F2167-5303 LS-131827 [ 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
IC50	<100000.0 nM	PMID12519057	BindingDB,ChEMBL
Inhibition	>70.0 %	PMID19445453	ChEMBL
Ki	36.0 nM	PMID20615697	BindingDB,ChEMBL
Ki	30000.0 nM	PMID10893301	BindingDB,ChEMBL

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