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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	3-iodothyronamine
Molecular formula	C14H14INO2
IUPAC name	4-[4-(2-aminoethyl)-2-iodophenoxy]phenol
Molecular weight	355.175
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.1
Synonyms	712349-95-6 SCHEMBL359453 CHEBI:89700 4-[4-(2-Aminoethyl)-2-iodphenoxy]phenol DTXSID80433256 AKOS028113698 T1AM 4-(4-(2-amoethinyl)-2-iodophenoxy)phenol Phenol, 4-[4-(2-aminoethyl)-2-iodophenoxy]- BDBM50359505 ZINC13681007 4-[4-(2-aminoethyl)-2-iodophenoxy]phenol CHEMBL1182312 [ Show all ]
Inchi Key	XIINYOJWNGOUPF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
PubChem CID	9950514
ChEMBL	CHEMBL1182312
IUPHAR	N/A
BindingDB	50359505
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	1510.0 nM	PMID22037049	BindingDB,ChEMBL
FC	16.0 -	MedChemComm, (2016) 7:2:353	ChEMBL

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