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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	SMR000135892
Molecular formula	C18H20N2O4
IUPAC name	4-(4-hydroxyanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Molecular weight	328.368
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.1
Synonyms	4-(4-hydroxyanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid N-(4-hydroxyphenyl)-N~2~-(2-phenylethyl)asparagine HMS1593P18 SR-01000275345 3-[N-(4-hydroxyphenyl)carbamoyl]-2-[(2-phenylethyl)amino]propanoic acid AKOS016300362 MLS000530914 STK975231 4-(4-hydroxyanilino)-4-oxo-2-(phenethylamino)butanoic acid CHEMBL1532210 N~4~-(4-hydroxyphenyl)-N~2~-(2-phenylethyl)asparagine AC1MG2BV HMS2427O04 SR-01000275345-1 4-(4-hydroxyanilino)-4-keto-2-(phenethylamino)butyric acid BDBM96615 MolPort-000-466-708 4-[(4-hydroxyphenyl)amino]-4-oxidanylidene-2-(2-phenylethylamino)butanoic acid cid_2954398 AKOS002233810 MCULE-4787415532 ST50101132 [ Show all ]
Inchi Key	AJCHUNHYHLURST-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O4/c21-15-8-6-14(7-9-15)20-17(22)12-16(18(23)24)19-11-10-13-4-2-1-3-5-13/h1-9,16,19,21H,10-12H2,(H,20,22)(H,23,24)
PubChem CID	2954398
ChEMBL	CHEMBL1532210
IUPHAR	N/A
BindingDB	96615
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	7646.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	<29910.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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