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GLASS

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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	MLS000777768
Molecular formula	C17H19NO2
IUPAC name	4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
Molecular weight	269.344
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	MCULE-3433204949 BDBM66643 Oprea1_346780 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol CHEMBL1582580 ZINC239818 AC1LG42F BRD-K85035734-001-10-1 SMR000414107 4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-methoxyphenol cid_764835 AKOS021293982 MolPort-002-141-567 4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxy-phenol STL329019 [ Show all ]
Inchi Key	BENCJXKELSLPQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
PubChem CID	764835
ChEMBL	CHEMBL1582580
IUPHAR	N/A
BindingDB	66643
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	3199.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	11950.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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