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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	(RS)-MCPG
Molecular formula	C10H11NO4
IUPAC name	4-(1-amino-1-carboxyethyl)benzoic acid
Molecular weight	209.201
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	-2.0
Synonyms	EU-0100747 LS-173280 NCGC00024542-02 ST50825577 (+/-)MCPG 146669-29-6 AKOS005066801 Benzeneacetic acid, alpha-amino-4-carboxy-alpha-methyl-, (+-)- J-008240 MolPort-003-958-752 NCGC00261432-01 ( inverted question mark)-MCPG (R,S)-MCPG 4-(2-amino-1-hydroxy-1-oxopropan-2-yl)benzoic acid alpha-Methyl-4-carboxyphenylglycine CCG-204832 Lopac0_000747 NCGC00015676-05 SR-01000075733 (+/-)-alpha-Methyl-4-carboxyphenylglycine (y)-alpha-Methyl-4-carboxyphenylglycine AC1Q5S1R Benzeneacetic acid, a-amino-4-carboxy-a-methyl- CS-5708 HMS3262E16 M 4796 NCGC00024542-03 Tox21_500747 (?)-alpha-Methyl-4-carboxyphenylglycine 4-(1-Amino-1-carboxy-ethyl)-benzoic acid(S-M4CPG) alpha-Amino-4-carboxy-alpha-methylbenzeneacetic acid BN0322 KS-00001CLO NCGC00015676-03 RT-015311 (+-)-MCPG (RS)-?-Methyl-4-carboxyphenylglycine BCP18268 LP00747 NCGC00015676-06 SR-01000075733-1 (+/-)-MCPG ACMC-20cchr Benzeneacetic acid, alpha-amino-4-carboxy-alpha-methyl- CTK4C5052 HY-100371 MFCD00210205 NCGC00024542-04 ( inverted question mark)-alpha-Methyl-4-carboxyphenylglycine (r,s)-alpha-methyl-4-carboxyphenylglycine 4-(1-amino-1-carboxyethyl)benzoic acid alpha-Methyl-2-(4-carboxyphenyl)glycine C10H11NO4 L000020 NCGC00015676-04 SCHEMBL715285 (+/-)-alpha-Methyl-(4-carboxyphenyl)glycine AC1L1AZT BDBM50030627 CHEMBL299683 [ Show all ]
Inchi Key	DNCAZYRLRMTVSF-UHFFFAOYSA-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)
PubChem CID	1222
ChEMBL	CHEMBL299683
IUPHAR	N/A
BindingDB	50030627
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	155000.0 nM	PMID8831765, PMID7562903	BindingDB,ChEMBL
IC50	700000.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:7:763	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID11080213, PMID9131252	BindingDB
Ki	50000.0 nM	PMID8667369	BindingDB,ChEMBL
Ki	540000.0 nM	PMID10893301	BindingDB,ChEMBL

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