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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	MLS002182684
Molecular formula	C16H21FN2O3
IUPAC name	N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
Molecular weight	308.353
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	0.6
Synonyms	N-[2-(4-fluorophenyl)ethyl]-4-keto-4-morpholino-butyramide HMS3042B19 SMR001271714 AKOS008000364 MolPort-009-512-116 CHEMBL1476854 N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxidanylidene-butanamide MCULE-1452616597 ZINC8265263 BDBM96924 N-[2-(4-fluorophenyl)ethyl]-4-(4-morpholinyl)-4-oxobutanamide cid_25162571 N-[2-(4-fluorophenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide [ Show all ]
Inchi Key	AFFJSLKSDZCMNA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21FN2O3/c17-14-3-1-13(2-4-14)7-8-18-15(20)5-6-16(21)19-9-11-22-12-10-19/h1-4H,5-12H2,(H,18,20)
PubChem CID	25162571
ChEMBL	CHEMBL1476854
IUPHAR	N/A
BindingDB	96924
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	<29907.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	14799.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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