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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	MLS000589773
Molecular formula	C20H23N3O2S
IUPAC name	ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate
Molecular weight	369.483
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.9
Synonyms	4-(5-phenethyl-2-thioxo-1,3,5-triazinan-1-yl)benzoic acid ethyl ester BDBM96636 EU-0048990 667908-71-6 CHEMBL1343298 AKOS001688893 ethyl 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoate STK409763 4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-benzoic acid ethyl ester CHEBI:107130 HMS2545A22 cid_980466 MolPort-002-586-997 AQ-090/41740654 ethyl 4-[5-(2-phenylethyl)-2-thioxo-1,3,5-triazinan-1-yl]benzoate ZINC19922951 4-[5-(2-phenylethyl)-2-sulfanylidene-1,3,5-triazinan-1-yl]benzoic acid ethyl ester MCULE-4265895988 AC1LJV6W ethyl 4-(5-phenethyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate SMR000219558 [ Show all ]
Inchi Key	BIHPEXBRJDRAAX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26)
PubChem CID	980466
ChEMBL	CHEMBL1343298
IUPHAR	N/A
BindingDB	96636
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	68.53 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	775.5 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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