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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	AC1NYINJ
Molecular formula	C16H19N5O2
IUPAC name	2-[(E)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
Molecular weight	313.361
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.3
Synonyms	AKOS005692779 CHEMBL3191126 STL038787 AKOS030513486 2-[(E)-{2-[6-methyl-2-(morpholin-4-yl)pyrimidin-3-ium-4-yl]hydrazinylidene}methyl]phenolate MolPort-000-716-362 AC1OA3YF 6-[[2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one MolPort-002-567-947 [ Show all ]
Inchi Key	BAMUUQRCURHGEE-GZTJUZNOSA-N
Inchi ID	InChI=1S/C16H19N5O2/c1-12-10-15(19-16(18-12)21-6-8-23-9-7-21)20-17-11-13-4-2-3-5-14(13)22/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)/b17-11+
PubChem CID	135549744
ChEMBL	CHEMBL3191126
IUPHAR	N/A
BindingDB	N/A
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	<29906.0 nM	PubChem BioAssay data set	ChEMBL
IC50	2519.0 nM	PubChem BioAssay data set	ChEMBL

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