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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	MLS001106103
Molecular formula	C23H28FN3O2
IUPAC name	N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
Molecular weight	397.494
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.0
Synonyms	MCULE-6238696652 BDBM96781 N-[2-(2-fluorophenyl)ethyl]-2-[3-keto-1-(3-phenylpropyl)piperazin-2-yl]acetamide cid_24791545 N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide N-[2-(2-fluorophenyl)ethyl]-2-[3-oxidanylidene-1-(3-phenylpropyl)piperazin-2-yl]ethanamide HMS2946H23 SMR000654923 MolPort-005-044-187 CHEMBL1603110 N-[2-(2-fluorophenyl)ethyl]-2-[3-oxo-1-(3-phenylpropyl)-2-piperazinyl]acetamide [ Show all ]
Inchi Key	BQYUKIZPKQZRBT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28FN3O2/c24-20-11-5-4-10-19(20)12-13-25-22(28)17-21-23(29)26-14-16-27(21)15-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,21H,6,9,12-17H2,(H,25,28)(H,26,29)
PubChem CID	24791545
ChEMBL	CHEMBL1603110
IUPHAR	N/A
BindingDB	96781
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	1708.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	7168.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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