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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	201943-63-7
Molecular formula	C20H19NO5
IUPAC name	(1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carboxylic acid
Molecular weight	353.374
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-0.2
Synonyms	(S)-2-[(S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid ABP000453 LY 341495 RL02516 SR-01000597370 (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carboxylic acid 2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid(LY341495) BC638757 GTPL1378 LY-341495 Z99 (1S,2S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid BRD-K69763916-001-01-7 HY-70059 MolPort-023-276-045 SB17024 (1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl)cyclopropane-1-carboxylic acid 2(S)-Amino-2-[2(S)-carboxy-1(S)-cyclopropyl]-3-(9H-xanthen-9-yl)propionic acid AKOS024456466 CHEMBL432038 LY 341495;LY-341495 SR-01000597370-1 (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropanecarboxylic acid BCP9000885 GTPL1399 LY341495 ZINC3826602 (2S)-2-AMINO-2-[(1S,2S)-2-CARBOXYCYCLOPROP-1-YL]-3-(XANTH-9-YL) PROPANOIC ACID 618093-20-2 CHEBI:93224 J-501015 NCGC00025041-02 SCHEMBL481153 (1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl)cyclopropanecarboxylic acid 2-[(1s,2s)-2-Carboxycyclopropyl]-3-(9h-Xanthen-9-Yl)-D-Alanine API0006790 CS-0343 LY-341,495 W-5248 (1S,2S)-2-[(S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid 3794AH BDBM50062522 HMS3267B15 LY341495 /LY-341495 [ Show all ]
Inchi Key	VLZBRVJVCCNPRJ-KPHUOKFYSA-N
Inchi ID	InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
PubChem CID	9819927
ChEMBL	CHEMBL432038
IUPHAR	N/A
BindingDB	50062522
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	7800.0 nM	PMID9873635	BindingDB,ChEMBL
Ki	6800.0 nM	PMID10893301	BindingDB,ChEMBL

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