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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	MLS000103636
Molecular formula	C20H17FN4OS
IUPAC name	5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Molecular weight	380.441
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol BDBM96581 MolPort-003-074-544 868220-31-9 cid_5310397 AC1NSIU6 MCULE-4875565476 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol SMR000017879 F1805-0175 5-((3,4-dihydroisoquinolin-2(1H)-yl)(4-fluorophenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol AKOS024609914 5-[3,4-dihydro-1H-isoquinolin-2-yl-(4-fluorophenyl)methyl]thiazolo[3,2-b][1,2,4]triazol-6-ol CHEMBL1589687 AB00433449-05 HMS2246E13 [ Show all ]
Inchi Key	BFRCUVAYFFBWKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17FN4OS/c21-16-7-5-14(6-8-16)17(18-19(26)25-20(27-18)22-12-23-25)24-10-9-13-3-1-2-4-15(13)11-24/h1-8,12,17,26H,9-11H2
PubChem CID	5310397
ChEMBL	CHEMBL1589687
IUPHAR	N/A
BindingDB	96581
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	8293.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	10317.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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