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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	MLS001236764
Molecular formula	C17H16FN3O3S2
IUPAC name	2-[(7-fluoro-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Molecular weight	393.451
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.9
Synonyms	886956-45-2 F2700-0337 2-((7-fluoro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-phenethylacetamide AKOS024671638 ZINC4853684 2-[(7-fluoro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-(2-phenylethyl)acetamide CHEMBL1434899 HMS3016O20 2-[(7-fluoro-1,1-diketo-4H-1,2,4-benzothiadiazin-3-yl)thio]-N-phenethyl-acetamide BDBM96795 MolPort-003-154-188 2-[[7-fluoranyl-1,1-bis(oxidanylidene)-4H-1,2,4-benzothiadiazin-3-yl]sulfanyl]-N-(2-phenylethyl)ethanamide cid_7386906 AC1OKID8 MCULE-3088537948 2-[(7-fluoro-1,1-dioxo-4H-1,2,4-benzothiadiazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide SMR000812599 [ Show all ]
Inchi Key	ADBVETNOWQEIHW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16FN3O3S2/c18-13-6-7-14-15(10-13)26(23,24)21-17(20-14)25-11-16(22)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)
PubChem CID	7386906
ChEMBL	CHEMBL1434899
IUPHAR	N/A
BindingDB	96795
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	620.97 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	3518.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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