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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	SIB 1757
Molecular formula	C12H11N3O
IUPAC name	6-methyl-2-phenyldiazenylpyridin-3-ol
Molecular weight	213.24
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	Tox21_501161 (2E)-6-methyl-2-(phenylhydrazinylidene)pyridin-3-one 6-methyl-2-(phenylhydrazinylidene)pyridin-3-one BC600132 CHEMBL1427311 GTPL1431 Lopac0_001161 NCGC00025047-04 SIB 1757, >=99% (HPLC), crystalline SMR000326907 ZINC18155387 AC1O3ID7 BRD-K98157055-001-04-2 CTK1B2569 HMS3267D07 MolPort-003-959-633 NSC_5218788 SR-01000076142-3 31993-01-8 AKOS024456470 CHEBI:93722 DTXSID00425754 L000560 NCGC00025047-02 SCHEMBL179770 SIB-1757 ZINC100001934 (2Z)-6-methyl-2-(phenylhydrazinylidene)pyridin-3-one 6-methyl-2-[(E)-phenyldiazenyl]pyridin-3-ol BDBM86717 CHEMBL405358 HMS2231C22 LP01161 NCGC00185991-01 SR-01000076142 3-Pyridinol, 6-methyl-2-(2-phenyldiazenyl)- AC1O44IY CAS_5218788 D05TFE HMS3369P05 NCGC00015978-01 S 9186 Tocris-1215 6-Methyl-2-(phenylazo)-3-pyridinol B6636 EU-0101161 Lopac-S-9186 NCGC00025047-03 SIB1757 ZINC13557614 (E)-6-methyl-2-(phenyldiazenyl)pyridin-3-ol BN0481 CHEMBL88553 HMS3263J03 MLS000860049 NCGC00261846-01 SR-01000076142-1 3-Pyridinol, 6-methyl-2-(phenylazo)- AC1OBJF8 CCG-205235 D0Q6VH J-018594 NCGC00025047-01 SCHEMBL10160623 [ Show all ]
Inchi Key	LOCPVWIREQIGNQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3
PubChem CID	5218788
ChEMBL	CHEMBL1427311
IUPHAR	N/A
BindingDB	86717
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	1170.0 nM	PMID16678408	BindingDB
Ki	346.4 nM	PMID16040814	BindingDB
Ki	486.4 nM	PMID16040814	BindingDB

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