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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	Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
Molecular formula	C14H15NO2S
IUPAC name	ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
Molecular weight	261.339
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.1
Synonyms	3-Thiophenecarboxylicacid, 2-amino-4-methyl-5-phenyl-, ethyl ester BAS 00899395 DTXSID20350150 MCULE-9930283305 SR-01000396531-1 AC1LDSFI CCG-103720 NE11645 Z56938146 2-Amino-4-methyl-5-phenylthiophene-3-carboxylic acid ethyl ester AKOS000674703 CTK4J0694 HMS2504J22 SMR000116331 4815-38-7 BB 0218696 EN300-06910 MLS000525857 ST033546 AC1Q334W FT-0766367 SBB000996 ZERO/001328 3-Thiophenecarboxylic acid, 2-amino-4-methyl-5-phenyl-, ethyl ester ALBB-032293 DB-014788 KB-50859 SR-01000396531 BDBM50299471 ethyl 2-amino-4-methyl-5-phenylthiophene 3-carboxylate MolPort-001-757-982 STK791088 2-Amino-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester AJ-08747 CHEMBL566136 FXPVOLWQNNGFHA-UHFFFAOYSA-N SCHEMBL4217459 ZINC37360 [ Show all ]
Inchi Key	FXPVOLWQNNGFHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15NO2S/c1-3-17-14(16)11-9(2)12(18-13(11)15)10-7-5-4-6-8-10/h4-8H,3,15H2,1-2H3
PubChem CID	674768
ChEMBL	CHEMBL566136
IUPHAR	N/A
BindingDB	50299471
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	12.0 %	PMID19819046	ChEMBL

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