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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS003123728
Molecular formula	C18H20N4O2S
IUPAC name	4-(1-amino-2-phenylmethoxyethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine
Molecular weight	356.444
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.7
Synonyms	4-(1-amino-2-phenylmethoxyethyl)-N-(6-methoxy-2-pyridinyl)-2-thiazolamine SMR001291766 CHEMBL1904433 4-(1-amino-2-phenylmethoxyethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine MLS004803786 BDBM96835 [4-(1-amino-2-benzoxy-ethyl)thiazol-2-yl]-(6-methoxy-2-pyridyl)amine cid_49786599 4-(1-azanyl-2-phenylmethoxy-ethyl)-N-(6-methoxypyridin-2-yl)-1,3-thiazol-2-amine MLS004805934 [ Show all ]
Inchi Key	BSEATIOFJZYCAZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N4O2S/c1-23-17-9-5-8-16(21-17)22-18-20-15(12-25-18)14(19)11-24-10-13-6-3-2-4-7-13/h2-9,12,14H,10-11,19H2,1H3,(H,20,21,22)
PubChem CID	49786599
ChEMBL	CHEMBL1904433
IUPHAR	N/A
BindingDB	96835
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	2552.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	8791.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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