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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.
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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	CHEMBL1669639
Molecular formula	C17H19N3O4
IUPAC name	N-(3-methoxyphenyl)-3-nitro-4-(propylamino)benzamide
Molecular weight	329.356
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.0
Synonyms	N-(3-methoxy-phenyl)-3-nitro-4-propylamino-benzamide N-(3-methoxyphenyl)-3-nitro-4-(propylamino)benzamide BBLFMTCZYCXMQX-UHFFFAOYSA-N SCHEMBL3644686 BDBM50336226
Inchi Key	BBLFMTCZYCXMQX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N3O4/c1-3-9-18-15-8-7-12(10-16(15)20(22)23)17(21)19-13-5-4-6-14(11-13)24-2/h4-8,10-11,18H,3,9H2,1-2H3,(H,19,21)
PubChem CID	25175300
ChEMBL	CHEMBL1669639
IUPHAR	N/A
BindingDB	50336226
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	14.0 %	PMID21237643	ChEMBL
IC50	13.0 nM	PMID21237643	BindingDB,ChEMBL
Ki	4.0 nM	PMID21237643	BindingDB,ChEMBL

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