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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	MLS001000987
Molecular formula	C17H21NO3
IUPAC name	3-(2-phenylethylcarbamoyl)bicyclo[2.2.1]heptane-2-carboxylic acid
Molecular weight	287.359
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.7
Synonyms	3-[(2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid ST50941285 HMS2837N03 2-[oxo-(2-phenylethylamino)methyl]-3-bicyclo[2.2.1]heptanecarboxylic acid AKOS022161947 MolPort-002-108-600 3-[N-(2-phenylethyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid CHEMBL1891198 STK480104 2-(2-phenylethylcarbamoyl)bicyclo[2.2.1]heptane-3-carboxylic acid AC1O66BA MCULE-6062888195 3-(phenethylcarbamoyl)norbornane-2-carboxylic acid BDBM96746 SMR000499205 3-{[(2-phenylethyl)amino]carbonyl}bicyclo[2.2.1]heptane-2-carboxylic acid cid_6468911 2-(phenethylcarbamoyl)bicyclo[2.2.1]heptane-3-carboxylic acid AKOS003371492 [ Show all ]
Inchi Key	BGECMOWJZQPCEC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21NO3/c19-16(18-9-8-11-4-2-1-3-5-11)14-12-6-7-13(10-12)15(14)17(20)21/h1-5,12-15H,6-10H2,(H,18,19)(H,20,21)
PubChem CID	6468911
ChEMBL	CHEMBL1891198
IUPHAR	N/A
BindingDB	96746
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	1264.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	11049.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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