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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)-4-CARBOXY-3-HYDROXYPHENYLGLYCINE
Molecular formula	C9H9NO5
IUPAC name	4-[(S)-amino(carboxy)methyl]-2-hydroxybenzoic acid
Molecular weight	211.173
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	-1.0
Synonyms	B6255 D0S6DK SCHEMBL12648356 4-Carboxy-3-hydroxyphenylglycine, (S)- Benzeneacetic acid, alpha-amino-4-carboxy-3-hydroxy-, (S)- MolPort-003-983-491 Tocris-0320 (S)-4C3H-PG AKOS024457474 CHEMBL39372 PDSP1_001316 ZINC2559031 4-((S)-Amino-carboxy-methyl)-2-hydroxy-benzoic acid BDBM50053585 DFS3SIU1ME SR-01000597633 (S)-4-(amino(carboxy)methyl)-2-hydroxybenzoic acid 4-[(1S)-1-amino-2-hydroxy-2-oxoethyl]-2-hydroxybenzoic acid BN0022 NCGC00024532-01 UNII-DFS3SIU1ME (s)-4C3HPG 85148-82-9 B6253 CTK8F2145 PDSP2_001300 4-Carboxy-3-hydroxy-L-phenylglycine Benzeneacetic acid, alpha-amino-4-carboxy-3-hydroxy-, (alphaS)- GTPL1374 SR-01000597633-1 4C3HPG AC1NSKO9 NCGC00024532-02 UNII-M725GQ103A component GXZSAQLJWLCLOX-ZETCQYMHSA-N [ Show all ]
Inchi Key	GXZSAQLJWLCLOX-ZETCQYMHSA-N
Inchi ID	InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
PubChem CID	5311455
ChEMBL	CHEMBL39372
IUPHAR	1374
BindingDB	50053585
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	40000.0 nM	PMID8831765, PMID17489573	BindingDB,ChEMBL
Ki	1000.0 - 1584.89 nM	PMID12695537, PMID11080213	IUPHAR

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