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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	SIB 1893
Molecular formula	C14H13N
IUPAC name	2-methyl-6-[(E)-2-phenylethenyl]pyridine
Molecular weight	195.265
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	3.6
Synonyms	AC1Q4VO3 CHEBI:93178 L000561 NCGC00025046-04 PDSP2_001555 SR-01000076143 2-methyl-6-(2-phenylethenyl)pyridine 2-[(E)-Styryl]-6-methylpyridine BDBM50084141 EU-0101171 MFCD02262120 NCGC00261856-01 Tox21_501171 (E)-2-Methyl-6-(2-phenylethyl)-pyridine 7370-21-0 CAS_5311432 KB-231610 NCGC00025046-02 NSC_5311432 SIB1893 2-Methyl-6-styryl-pyridine(SIB-1893) AKOS006279967 Lopac0_001171 NCGC00025046-05 Pyridine,2-methyl-6-(2-phenylethenyl)- SR-01000076143-1 BDBM86715 GTPL1432 MLS002607995 NSC-36665 SIB 1893, >99%, solid ZINC3941522 (E)-2-methyl-6-styrylpyridine AC1NSKMI CCG-205245 KB-60434 NCGC00025046-03 PDSP1_001571 SMR000326914 2-Methyl-6-((E)-styryl)-pyridine 2-methyl-6-[(E)-2-phenylethenyl]pyridine BC600133 CHEMBL88612 LP01171 NCGC00025046-06 S 9311 SR-01000076143-3 6266-99-5 BRD-K67439147-001-01-7 HMS3263L03 MolPort-003-959-634 NSC36665 SIB-1893 [E]-2-Methyl-6-[2-phenylethenyl]pyridine (E)-2-Methyl-6-[2-phenylethenyl]pyridine [ Show all ]
Inchi Key	SISOFUCTXZKSOQ-ZHACJKMWSA-N
Inchi ID	InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+
PubChem CID	5311432
ChEMBL	CHEMBL88612
IUPHAR	1432
BindingDB	50084141
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	290.0 nM	PMID10639281	BindingDB,ChEMBL
IC50	316.228 - 1258.93 nM	PMID11814808, PMID10381773	IUPHAR
IC50	1100.0 nM	PMID11814808	BindingDB,ChEMBL
IC50	3000.0 nM	PMID11814808	BindingDB,ChEMBL
Ki	290.0 nM	PMID10893301	BindingDB,ChEMBL

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