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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	Homo sapiens (Human)
Gene	TAAR1
Synonym	trace amine receptor 1 TAR1 TaR-1 TA1 receptor TRAR1
Disease	N/A
Length	339
Amino acid sequence	MMPFCHNIINISCVKNNWSNDVRASLYSLMVLIILTTLVGNLIVIVSISHFKQLHTPTNWLIHSMATVDFLLGCLVMPYSMVRSAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVMIFISWSVPAVFAFGMIFLELNFKGAEEIYYKHVHCRGGCSVFFSKISGVLTFMTSFYIPGSIMLCVYYRIYLIAKEQARLISDANQKLQIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICTVMDPFLHYIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQKDSSRCKLFLELSS
UniProt	Q96RJ0
Protein Data Bank	N/A
GPCR-HGmod model	Q96RJ0
3D structure model	This predicted structure model is from GPCR-EXP Q96RJ0.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5857
IUPHAR	364
DrugBank	BE0001044

Ligand

Name	SMR000164019
Molecular formula	C22H29NO3
IUPAC name	2-[2-[2-(4-propoxyphenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline
Molecular weight	355.478
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	HMS2418F05 AKOS001361915 MolPort-002-817-513 2-[2-[2-(4-propoxyphenoxy)ethoxy]ethyl]-3,4-dihydro-1H-isoquinoline CHEMBL1533231 ZINC2191185 AC1LXGEL MCULE-3069431528 BDBM96617 REGID_for_CID_1825674 2-{2-[2-(4-propoxyphenoxy)ethoxy]ethyl}-1,2,3,4-tetrahydroisoquinoline cid_1825674 AJ-292/42546008 MLS000537577 [ Show all ]
Inchi Key	ABEGEZWDEVDBPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29NO3/c1-2-14-25-21-7-9-22(10-8-21)26-17-16-24-15-13-23-12-11-19-5-3-4-6-20(19)18-23/h3-10H,2,11-18H2,1H3
PubChem CID	1825674
ChEMBL	CHEMBL1533231
IUPHAR	N/A
BindingDB	96617
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	2078.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<3324.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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