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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	(S)-MCPG
Molecular formula	C10H11NO4
IUPAC name	4-[(1S)-1-amino-1-carboxyethyl]benzoic acid
Molecular weight	209.201
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	-2.0
Synonyms	(+)-MCPG (S)-a-methyl-4-carboxyphenylglycine AC1L9JKC BN0323 MFCD00216858 S(+)-alpha-Amino-4-carboxy-alpha-methyl-benzeneacetic acid UNII-7HJ67IIE31 component DNCAZYRLRMTVSF-JTQLQIEISA-N (S)-(+)-alpha-amino-4-carboxy-2-methylbenzeneacetic 4-(1-AMINO-1-CARBOXY-ETHYL)-BENZOIC ACID alpha-Methyl-4-carboxyphenylglycine CHEMBL257626 GTPL1373 NCGC00015676-02 SR-01000597608 (+)-alpha-Methyl-4-carboxyphenylglycine (S)-4-(1-amino-1-carboxyethyl)benzoic acid Benzeneacetic acid, alpha-amino-4-carboxy-alpha-methyl-, (alphaS)- D06ALU Lopac-M-4796 NCGC00024543-02 Tocris-0337 (+)-\|A-Methyl-4-carboxyphenylglycine AKOS024457587 CHEBI:43876 DB04256 MolPort-003-958-661 S(+)-\|A-Amino-4-carboxy-\|A-methyl-benzeneacetic acid ZINC2559035 (S)-(+)-alpha-methyl-4-carboxyphenylglycine 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid alpha-Methyl-cpgly CS-5944 HY-100406 NCGC00024542-01 SR-01000597608-1 (+)-alpha-Methyl-4-carboxyphenylglycine, solid (S)-?-Methyl-4-carboxyphenylglycine 61F6J48NHR Benzeneacetic acid,a-amino-4-carboxy-a-methyl-,(as)- D0J8OW MCG RT-005746 UNII-61F6J48NHR (R,S)-MCPG alpha-Mcpg DTXSID2042567 NCGC00015676-01 SCHEMBL12648649 (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE 4-[(2S)-2-amino-1-hydroxy-1-oxopropan-2-yl]benzoic acid BDBM50212325 CTK8F0682 J-008664 NCGC00024543-01 Tocris-0336 [ Show all ]
Inchi Key	DNCAZYRLRMTVSF-JTQLQIEISA-N
Inchi ID	InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
PubChem CID	446355
ChEMBL	CHEMBL257626
IUPHAR	1373
BindingDB	50212325
DrugBank	DB04256
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	4300.0 nM	PMID17489573	BindingDB,ChEMBL

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