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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	SMR000204166
Molecular formula	C14H21N3S
IUPAC name	5-(2-phenylethyl)-1-propyl-1,3,5-triazinane-2-thione
Molecular weight	263.403
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	5-phenethyl-1-propyl-1,3,5-triazinane-2-thione cid_3621166 ST070245 AKOS001690059 HMS3377I20 MolPort-004-956-309 5-(2-phenylethyl)-1-propyl-1,3,5-triazaperhydroine-2-thione EU-0082343 STK409730 BDBM96640 MCULE-9948100186 5-(2-phenylethyl)-1-propyl-1,3,5-triazinane-2-thione CHEMBL1562679 AC1MUNGE HMS2515A17 ZINC20036091 CCG-23606 MLS000585403 [ Show all ]
Inchi Key	ARGCIHHMIAHJBU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21N3S/c1-2-9-17-12-16(11-15-14(17)18)10-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,18)
PubChem CID	3621166
ChEMBL	CHEMBL1562679
IUPHAR	N/A
BindingDB	96640
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	2956.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	17705.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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