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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	CHEMBL3603923
Molecular formula	C16H8ClFN4
IUPAC name	3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile
Molecular weight	310.716
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.9
Synonyms	1644645-32-8 3-Chloro-5-[6-(5-fluoro-2-pyridinyl)-4-pyrimidinyl]benzonitrile FQAXDSVNYVVQSE-UHFFFAOYSA-N 51E SCHEMBL16398553 3-Chloro-5-(6-(5-fluoro-2-pyridyl)-4-pyrimidinyl)benzonitrile 3-Chloro-5-[6-(5-Fluoropyridin-2-Yl)pyrimidin-4-Yl]benzonitrile HTL-14242 BDBM50113476 3-chloro-5-(6-(5-fluoropyridin-2-yl)pyrimidin-4-yl)benzonitrile CS-0054551 SB19195 [ Show all ]
Inchi Key	FQAXDSVNYVVQSE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
PubChem CID	86763358
ChEMBL	CHEMBL3603923
IUPHAR	N/A
BindingDB	50113476
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	0.630957 nM	PMID26225459	BindingDB
IC50	0.631 nM	PMID26225459	ChEMBL
Inhibition	97.0 %	PMID26225459	ChEMBL
Ki	0.501187 nM	PMID26225459	BindingDB
Ki	0.5012 nM	PMID26225459	ChEMBL

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