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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	Acamprosate
Molecular formula	C5H11NO4S
IUPAC name	3-acetamidopropane-1-sulfonic acid
Molecular weight	181.206
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	-1.2
Synonyms	Acamprosatum [INN-Latin] calcium acetyl homotaurinate D07058 KS-000011A5 sodium acetylhomotaurine 1-Propanesulfonic acid,3-(acetylamino)- 77337-73-6 (calcium[2:1] salt) Acamprosate (calcium) Acamprosate 6473 AJ-26898 Campral DB00659 N-(3-sulfopropyl)ethanimidic acid UNII-N4K14YGM3J 3-Acetamido-1-propansulfonsaure A840197 Acamprosato [INN-Spanish] Aotal (TN) CHEMBL1201293 GTPL7106 N4K14YGM3J 77337-71-4 (mono-potassium salt) AC1Q6X8K acamprostate calcium acetylhomotaurinate D0GC2M LS-120940 SR-01000944872 3-(Acetylamino)propanesulphonic acid 77337-74-7 (magnesium[2:1] salt) acamprosate (Campral) Acamprosate [INN:BAN] AKOS006272019 Campral (TN) DTXSID3044259 N-acetyl homotaurine ZINC1554588 3-acetamidopropane-1-sulfonic acid AC1L2FNA Acamprosatum C5H11NO4S CTK5E4287 HSDB 7358 SCHEMBL41983 1-Propanesulfonic acid, 3-(acetylamino)- 77337-72-5 (mono-lithium salt) AFCGFAGUEYAMAO-UHFFFAOYSA-N calcium acetylhomotaurine MolPort-006-138-766 SR-01000944872-1 3-Acetamido-1-propanesulfonic acid 77337-76-9 Acamprosate (INN) Acamprosato AOTA CHEBI:51041 EINECS 278-667-4 N-Acetylhomotaurine 77337-70-3 (mono-hydrochloride salt) AC1Q1L6O [ Show all ]
Inchi Key	AFCGFAGUEYAMAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10)
PubChem CID	71158
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB00659
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank

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