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GLASS

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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	MLS000122379
Molecular formula	C18H19N3O2
IUPAC name	2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
Molecular weight	309.369
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.1
Synonyms	2-(3-hydroxy-1,2-dihydroquinoxalin-2-yl)-N-(2-phenylethyl)acetamide 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenethylacetamide AKOS016319479 F3023-0269 ST50489725 2-(3-oxo(1,2,4-trihydroquinoxalin-2-yl))-N-(2-phenylethyl)acetamide 625437-93-6 BAS 07330090 VU0507596-1 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-(2-phenylethyl)acetamide AKOS000588101 CHEMBL1337758 SCHEMBL4428703 2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenethyl-acetamide 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-phenylethyl)acetamide ALYVOKZTHSTUAG-UHFFFAOYSA-N HMS2389M19 STK114286 2-(3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)-N-(2-phenylethyl)acetamide BDBM96593 MolPort-000-685-080 Z31269343 2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenethyl-acetamide AKOS005583429 cid_3155914 SMR000119801 2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)-N-(2-phenylethyl)ethanamide 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenethylacetamide AS-871/42321410 MCULE-5348250339 STK652518 2-(3-Oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-N-phenethyl-acetamide AC1MKECD MolPort-008-316-995 [ Show all ]
Inchi Key	ALYVOKZTHSTUAG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19N3O2/c22-17(19-11-10-13-6-2-1-3-7-13)12-16-18(23)21-15-9-5-4-8-14(15)20-16/h1-9,16,20H,10-12H2,(H,19,22)(H,21,23)
PubChem CID	3155914
ChEMBL	CHEMBL1337758
IUPHAR	N/A
BindingDB	96593
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	2266.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	7178.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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