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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	MLS001360438
Molecular formula	C13H16N4
IUPAC name	4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine
Molecular weight	228.299
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	cid_718645 N4,N4,6-trimethyl-N2-phenylpyrimidine-2,4-diamine ZINC118222 AKOS005455470 HMS3052F20 SR-01000150787 CHEMBL1735124 ST073332 (2-anilino-6-methyl-pyrimidin-4-yl)-dimethyl-amine dimethyl[6-methyl-2-(phenylamino)pyrimidin-4-yl]amine N~4~,N~4~,6-trimethyl-N~2~-phenylpyrimidine-2,4-diamine A3374/0143214 BDBM96810 IDI1_004106 SR-01000150787-1 ChemDiv2_005391 N4,N4,6-trimethyl-N2-phenyl-pyrimidine-2,4-diamine STK524308 4-N,4-N,6-trimethyl-2-N-phenylpyrimidine-2,4-diamine HMS1384F01 SMR001223947 AC1LEVFR MCULE-1590806452 SR-01000150787-3 [ Show all ]
Inchi Key	BLSAOFXWZBPJER-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16)
PubChem CID	718645
ChEMBL	CHEMBL1735124
IUPHAR	N/A
BindingDB	96810
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	128.13 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	273.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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