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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SR-01000578161 MolPort-002-256-668 Oprea1_527975 BDBM50336221 EU-0096169 SR-01000578161-1 N-(3-methoxyphenyl)-3-nitro-4-(pyrrolidin-1-yl)benzamide AC1MGY0T SCHEMBL3647714 MCULE-9076084842 ZINC4668240 N-(3-methoxyphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide AKOS002128955 [ 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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