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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	AC1NZFJC
Molecular formula	C15H14N4O5
IUPAC name	1,3-bis[(E)-(3,4-dihydroxyphenyl)methylideneamino]urea
Molecular weight	330.3
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	1.2
Synonyms	MCULE-6010611764 1,3-bis[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea SR-01000089487 1-[[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]urea AC1O9YZS CHEMBL1997990 SR-01000089487-1 A0923/0043220 AKOS024288760 [ Show all ]
Inchi Key	BRHXDZBOSDPKDA-GDWCLCACSA-N
Inchi ID	InChI=1S/C15H14N4O5/c20-11-3-1-9(5-13(11)22)7-16-18-15(24)19-17-8-10-2-4-12(21)14(23)6-10/h1-8,20-23H,(H2,18,19,24)/b16-7+,17-8+
PubChem CID	135420153
ChEMBL	CHEMBL1997990
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor.

Experimental Data

Parameter	Value	Reference	Database source
EC50	647.39 nM	PubChem BioAssay data set	ChEMBL
IC50	<9966.0 nM	PubChem BioAssay data set	ChEMBL

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