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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	MLS003151666
Molecular formula	C16H18N4
IUPAC name	5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile
Molecular weight	266.348
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.4
Synonyms	5,7-dimethyl-2-(1-piperazinyl)-3-quinolinecarbonitrile CHEMBL2357580 5,7-dimethyl-2-piperazino-quinoline-3-carbonitrile SCHEMBL14235629 BDBM96830 5,7-dimethyl-2-piperazin-1-yl-quinoline-3-carbonitrile cid_28809628 SMR001856260 5,7-dimethyl-2-piperazin-1-ylquinoline-3-carbonitrile AKOS022212891 [ Show all ]
Inchi Key	AGWQWXZPAVLKSU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4/c1-11-7-12(2)14-9-13(10-17)16(19-15(14)8-11)20-5-3-18-4-6-20/h7-9,18H,3-6H2,1-2H3
PubChem CID	28809628
ChEMBL	CHEMBL2357580
IUPHAR	N/A
BindingDB	96830
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	1550.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	4285.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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