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GLASS

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

Name	Trace amine-associated receptor 1
Species	Mus musculus (Mouse)
Gene	Taar1
Synonym	TA1 receptor TaR-1 TAR1 trace amine receptor 1 TRAR1
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MHLCHAITNISHRNSDWSREVQASLYSLMSLIILATLVGNLIVIISISHFKQLHTPTNWLLHSMAIVDFLLGCLIMPCSMVRTVERCWYFGEILCKVHTSTDIMLSSASIFHLAFISIDRYCAVCDPLRYKAKINISTILVMILVSWSLPAVYAFGMIFLELNLKGVEELYRSQVSDLGGCSPFFSKVSGVLAFMTSFYIPGSVMLFVYYRIYFIAKGQARSINRTNVQVGLEGKSQAPQSKETKAAKTLGIMVGVFLVCWCPFFLCTVLDPFLGYVIPPSLNDALYWFGYLNSALNPMVYAFFYPWFRRALKMVLLGKIFQKDSSRSKLFL
UniProt	Q923Y8
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	CHEMBL4908
IUPHAR	364
DrugBank	N/A

Ligand

Name	CHEMBL1669644
Molecular formula	C18H19N3O4
IUPAC name	N-(3-methoxyphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
Molecular weight	341.367
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	AKOS002128955 N-(3-methoxyphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide SR-01000578161 MolPort-002-256-668 BDBM50336221 Oprea1_527975 EU-0096169 SR-01000578161-1 AC1MGY0T N-(3-methoxyphenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide SCHEMBL3647714 MCULE-9076084842 ZINC4668240 [ Show all ]
Inchi Key	BFRWUCIWGKGCBL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N3O4/c1-25-15-6-4-5-14(12-15)19-18(22)13-7-8-16(17(11-13)21(23)24)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)
PubChem CID	2943253
ChEMBL	CHEMBL1669644
IUPHAR	N/A
BindingDB	50336221
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	0.0 %	PMID21237643	ChEMBL
IC50	17.0 nM	PMID21237643	BindingDB,ChEMBL
Ki	13.0 nM	PMID21237643	BindingDB,ChEMBL

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