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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	AZD 9272
Molecular formula	C14H6F2N4O
IUPAC name	3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
Molecular weight	284.226
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.3
Synonyms	3-Fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile CHEMBL2164551 SCHEMBL2027395 5-(3-cyano-5-fluorophenyl)-3-(5-fluoro-pyrid-2-yl)-1,2,4-oxadiazole AZD9272, >=98% (HPLC) GTPL6439 3-(5-Fluoropyridyl-2-yl)-5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazole CHEMBL2164550 MolPort-039-338-067 3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile AZD-9272 CS-0033119 UNII-54SQ9B412I BDBM50395923 HY-110254 3-Fluoro-5-(3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl)benzonitrile AKOS027470228 RBSPCALDSNXWEP-UHFFFAOYSA-N 327056-26-8 AZD9272 D0E3SD ZINC33980255 54SQ9B412I Benzonitrile, 3-fluoro-5-(3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl)- J3.560.338G [ Show all ]
Inchi Key	RBSPCALDSNXWEP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
PubChem CID	9838729
ChEMBL	CHEMBL2164551
IUPHAR	6439
BindingDB	50395923
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	7.6 nM	PMID23046966	BindingDB,IUPHAR,ChEMBL
IC50	26.0 nM	PMID23046966	BindingDB,ChEMBL
Inhibition	100.0 %	PMID23046966	ChEMBL
Kd	2.25 nM	PMID23046966	BindingDB
Kd	3.8 nM	PMID23046966	BindingDB
Kd	5.5 nM	PMID23046966	BindingDB
Kd	7.2 nM	PMID23046966	BindingDB
Ki	3.8 nM	PMID23046966	IUPHAR

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