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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	SCHEMBL3616446
Molecular formula	C9H9BrN2O
IUPAC name	(4S)-4-(4-bromophenyl)-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight	241.088
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.6
Synonyms	ZINC83965056 BDBM109392 US8604061, 105 CHEMBL3680157
Inchi Key	CWSFSFQMKPGYPP-MRVPVSSYSA-N
Inchi ID	InChI=1S/C9H9BrN2O/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-4,8H,5H2,(H2,11,12)/t8-/m1/s1
PubChem CID	24966115
ChEMBL	CHEMBL3680157
IUPHAR	N/A
BindingDB	109392
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	150.0 nM	PMID26985297	BindingDB,ChEMBL
Emax	93.0 %	PMID26985297	ChEMBL

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