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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	MLS002182285
Molecular formula	C22H25F3N2O5S2
IUPAC name	2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
Molecular weight	518.566
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.5
Synonyms	2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide HMS3063B11 AKOS007983589 MolPort-005-716-255 2-[(4-methylbenzyl)thio]-N-[5-morpholinosulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide CHEMBL1700821 SR-01000877754-2 2-[(4-methylphenyl)methylthio]-N-[5-(4-morpholinylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]acetamide MCULE-8746071601 BDBM96925 SMR001271315 2-[(4-methylphenyl)methylsulfanyl]-N-[5-morpholin-4-ylsulfonyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide cid_25163212 ZINC32985988 SR-01000877754 [ Show all ]
Inchi Key	BWDXXFYLFJLISK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25F3N2O5S2/c1-16-2-4-17(5-3-16)13-33-14-21(28)26-19-12-18(6-7-20(19)32-15-22(23,24)25)34(29,30)27-8-10-31-11-9-27/h2-7,12H,8-11,13-15H2,1H3,(H,26,28)
PubChem CID	25163212
ChEMBL	CHEMBL1700821
IUPHAR	N/A
BindingDB	96925
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<29900.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	1248.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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