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GLASS

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GPCR

Name	Metabotropic glutamate receptor 5
Species	Homo sapiens (Human)
Gene	GRM5
Synonym	mGlu5 receptor glutamate receptor GPRC1E mGluR5
Disease	Central nervous system disease Chronic neuropathic pain Fragile X syndrome Major depressive disorder; GERD; Chronic neuropathic pain Autism Anxiety disorder Alzheimer disease Unspecified Major depressive disorder Neuropathic pain; Migraine Neurological disease Mood disorder [ Show all ]
Length	1212
Amino acid sequence	MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSSRGQHLWQRLSIHINKKENPNQTAVIKPFPKSTESRGLGAGAGAGGSAGGVGATGGAGCAGAGPGGPESPDAGPKALYDVAEAEEHFPAPARPRSPSPISTLSHRAGSASRTDDDVPSLHSEPVARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAAPSPGVGAPLCSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQPAAGAQAAGDAARESPAAGPEAAAAKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
UniProt	P41594
Protein Data Bank	4oo9, 5cgc, 5cgd, 6ffh, 6ffi, 6n4x, 6n4y, 6n50, 6n51, 3lmk
GPCR-HGmod model	N/A
3D structure model	This structure is from PDB ID 4oo9.
BioLiP	BL0176927,BL0176931, BL0176928,BL0176929,BL0176930, BL0281199, BL0322076, BL0322077, BL0407724, BL0438693, BL0438694, BL0438695,BL0438696,BL0438697, BL0407725, BL0438698,BL0438699
Therapeutic Target Database	T99347
ChEMBL	CHEMBL3227
IUPHAR	293
DrugBank	BE0001192

Ligand

Name	QUISQUALIC ACID
Molecular formula	C5H7N3O5
IUPAC name	(2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
Molecular weight	189.127
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-3.9
Synonyms	1p1o 8OC22C1B99 BDBM17660 CHEBI:8734 EU-0101039 L(+)-alpha-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid MolPort-003-939-212 PDSP2_000801 SCHEMBL13319908 (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID ST50825297 UNII-8OC22C1B99 2jbk AC1Q6GK0 BN0434 CHEMBL279956 GTPL1370 Lopac0_001039 NCGC00024489-03 Quisqualate (2S)-2-amino-3-(3,5-dioxo(1,2,4-oxadiazolidin-2-yl))propanoic acid SR-01000075471 1mm6 [3H]quisqualate 52809-07-1 ASNFTDCKZKHJSW-REOHCLBHSA-N C5H7N3O5 D0W6JO HMS3263O19 MFCD00069337 NCGC00261724-01 Quisqualic acid, powder (L)-(+)-?-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic acid SR-01000597681 Tocris-0188 2-Amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid(Quisqualic acid) AC1L23YS BDBM50164445 CHEMBL168279 FCH4012693 L-210 NCGC00024489-01 Q 2128 ()-Quisqualic Acid SCHEMBL136819 1,2,4-Oxadiazolidine-2-propanoic acid, alpha-amino-3,5-dioxo-, (S)- V0329 2or4 ACM52809071 C-52964 CTK4J6551 GTPL1372 LP01039 NCGC00024489-04 Quisqualate, L (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid SR-01000075471-1 1mm7 809Q071 BCP13297 CCG-205116 DB02999 KB-60323 MLS001074741 PDSP1_000814 QUS (S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid SR-01000597681-1 Tox21_501039 2-amino-3-(3,5-dioxo[1,2,4]oxadiazolidin-2-yl)propionic acid AC1ODZB5 beta-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine FT-0604435 L-Quisqualic acid NCGC00024489-02 QC-11635 (+)-Quisqualic acid SMR000471890 1,2,4-Oxadiazolidine-2-propanoicacid, a-amino-3,5-dioxo-, (aS)- ZINC897456 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine AKOS024456826 C08296 D06DUE HMS2233G05 LS-175398 NCGC00024489-05 (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid. SR-01000075471-5 [ Show all ]
Inchi Key	ASNFTDCKZKHJSW-REOHCLBHSA-N
Inchi ID	InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
PubChem CID	40539
ChEMBL	CHEMBL279956
IUPHAR	1370, 1372
BindingDB	17660
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	150.0 nM	PMID7738999	BindingDB,ChEMBL
Ki	29.0 nM	PMID11080213	BindingDB
Ki	30.0 nM	PMID9131252	BindingDB
Ki	55.0 nM	PMID10893301	BindingDB,ChEMBL

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