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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	3,3'-Difluorobenzaldazine
Molecular formula	C14H10F2N2
IUPAC name	(E)-1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine
Molecular weight	244.245
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	MolPort-003-940-930 SCHEMBL12497017 1-(3-fluorophenyl)-N-[(E)-(3-fluorophenyl)methylideneamino]methanimine BDBM50156074 CHEMBL371811 DFB, >=98% (HPLC), solid NCGC00025238-03 Tox21_500843 3,3 inverted exclamation marka-Difluorobenzaldazine BRD-K23623876-001-01-6 KB-76455 NCGC00261528-01 [(3-Fluorophenyl)methylene]hydrazone-3-fluorobenzaldehyde AC1O7H0M CHEBI:92414 N,N''''-Bis-[1-(3-fluoro-phenyl)-meth-(E)-ylidene]-hydrazine SR-01000597595 Benzaldehyde,3-fluoro-, 2-[(3-fluorophenyl)methylene]hydrazone D0F9QY HMS3262J07 NCGC00025238-04 VZ25360 C-14798 MFCD03653615 SCHEMBL12017614 1,2-Bis(3-Fluorobenzylidene)Hydrazine AKOS024456711 NCGC00025238-02 SR-01000597595-1 15332-10-2 bis(3-fluorobenzylidene)hydrazine DFB J-009001 NCGC00025238-05 ZINC13719901 CCG-222147 [ Show all ]
Inchi Key	YYMCVDNIIFNDJK-BEQMOXJMSA-N
Inchi ID	InChI=1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9+,18-10+
PubChem CID	6604893
ChEMBL	CHEMBL371811
IUPHAR	1424
BindingDB	50156074
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	2.36 nM	PMID15537338	BindingDB,ChEMBL
EC50	2600.0 nM	PMID24050755	BindingDB,ChEMBL
IC50	3.16228 - 2511.89 nM	PMID14747613, PMID12920211	IUPHAR
Potentiation	3.0 -	PMID15537338	ChEMBL

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