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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Metabotropic glutamate receptor 5
Species	Rattus norvegicus (Rat)
Gene	Grm5
Synonym	glutamate receptor GPRC1E mGlu5 receptor mGluR5
Disease	N/A for non-human GPCRs
Length	1203
Amino acid sequence	MVLLLILSVLLLKEDVRGSAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEEGLVRCVDGSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKIYSNAGEQSFDKLLKKLRSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNLRNPWFQEFWQHRFQCRLEGFAQENSKYNKTCNSSLTLRTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLDSLMKTNFTGVSGDMILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDEVWSKKNNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFVTVIFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRSAFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETLRYKDRRLAQHKSEIECFTPKGSMGNGGRATMSSSNGKSVTWAQNEKSTRGQHLWQRLSVHINKKENPNQTAVIKPFPKSTENRGPGAAAGGGSGPGVAGAGNAGCTATGGPEPPDAGPKALYDVAEAEESFPAAARPRSPSPISTLSHLAGSAGRTDDDAPSLHSETAARSSSSQGSLMEQISSVVTRFTANISELNSMMLSTAATPGPPGTPICSSYLIPKEIQLPTTMTTFAEIQPLPAIEVTGGAQGATGVSPAQETPTGAESAPGKPDLEELVALTPPSPFRDSVDSGSTTPNSPVSESALCIPSSPKYDTLIIRDYTQSSSSL
UniProt	P31424
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2564
IUPHAR	293
DrugBank	N/A

Ligand

Name	MLS000530551
Molecular formula	C15H14Cl2N2O3S
IUPAC name	2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide
Molecular weight	373.248
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	HMS2419O15 N~2~-(2-chlorophenyl)-N~1~-(3-chlorophenyl)-N~2~-(methylsulfonyl)glycinamide ZINC1208360 AKOS001650116 SR-01000461844 2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)acetamide cid_1364364 N-(3-chlorophenyl)-2-[(2-chlorophenyl)-methylsulfonyl-amino]ethanamide vu0034403 BDBM44464 KB-276103 Oprea1_197705 CHEMBL1451902 MLS004580681 SR-01000461844-1 2-(2-chloro-N-methylsulfonylanilino)-N-(3-chlorophenyl)acetamide HMS1479E10 N~2~-(2-chlorophenyl)-N-(3-chlorophenyl)-N~2~-(methylsulfonyl)glycinamide VU0034403-6 AC1LR8N5 BRD-K57697154-001-01-2 MCULE-6953859399 SMR000135531 ChemDiv3_002210 MolPort-003-183-853 STL120932 358360-83-5 [ Show all ]
Inchi Key	UUYQFOSWDVZCAB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
PubChem CID	1364364
ChEMBL	CHEMBL1451902
IUPHAR	N/A
BindingDB	44464
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	51.0 nM	PubChem BioAssay data set	ChEMBL
EC50	77.62 nM	PMID23142615	BindingDB,ChEMBL
EC50	80.0 nM	PMID23142615	BindingDB,ChEMBL
Emax	74.0 %	PMID23142615	ChEMBL
Ki	<10000.0 nM	PMID23142615	BindingDB,ChEMBL

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