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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	Macaca mulatta (Rhesus macaque)
Gene	TAAR1
Synonym	TaR-1 Trace amine receptor 1
Disease	N/A for non-human GPCRs
Length	338
Amino acid sequence	MPFCHNIINISCVKNNWSNDVRASLYSLMALIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKINILVVCVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLAFMTSFYIPGSIMLCIYYRIYLIAKEQARSINDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFVCTVIDPFLHYTIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMILFGKIFQKDSSRCKLFLESSS
UniProt	Q8HZ64
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	CHEMBL1926495
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	UNII-NXQ58PZ30E
Molecular formula	C11H16BrNO2
IUPAC name	(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	274.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	43061-16-1 DTXSID30109994 PDSP1_001366 Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, (alphaS)- UNII-67WJC4Y2QY component FXMWUTGUCAKGQL-SSDOTTSWSA-N NCGC00247715-01 ZINC402865 S-(+)-2,5-Dimethoxy-4-bromoamphetamine Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, (S)- UNII-67WJC4Y2QY component FXMWUTGUCAKGQL-ZETCQYMHSA-N (S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine CHEMBL468880 NXQ58PZ30E [S,(+)]-DOB BDBM50274042 SCHEMBL20553681 Brolamfetamine, (S)- [ Show all ]
Inchi Key	FXMWUTGUCAKGQL-ZETCQYMHSA-N
Inchi ID	InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
PubChem CID	23983765
ChEMBL	CHEMBL468880
IUPHAR	N/A
BindingDB	50274042
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	2140.0 nM	PMID22037049	BindingDB,ChEMBL

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