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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	52516-30-0
Molecular formula	C9H10F3N
IUPAC name	2-[3-(trifluoromethyl)phenyl]ethanamine
Molecular weight	189.181
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.1
Synonyms	BDBM50262796 CM13558 KS-000000QE Phenethylamine, m-trifluoromethyl- X-3181 2-(3-(trifluoromethyl)phenyl)ethanamine 2-[3-(trifluoromethyl)phenyl]ethan-1-amine 3-trifluoromethyl-phen-ethyl-amine AC1Q4JT6 AKOS000159379 BPVYCXMGJPKOTQ-UHFFFAOYSA-N DB-021779 m-trifluoromethyl-phenethylamin SC-07703 {2-[3-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE 2-(3-trifluoromethyl-phenyl)-ethylamine 3-(2-AMINOETHYL)BENZOTRIFLUORIDE 4CH-022129 BBL102913 CHEMBL448523 FT-0610857 MFCD00040756 ST50405606 2-(3-trifluoromethylphenyl)ethyl amine 3-(trifluoromethyl)phenethylamine AB0034210 Benzeneethanamine, 3-(trifluoromethyl)- CS-W005053 LS-103728 RARECHEM AL BW 0212 X8324 2-(3-(trifluoromethyl)phenyl)ethylamine 2-[3-(trifluoromethyl)phenyl]ethanamine 3-trifluoromethylphenethyl-amine AJ-35639 AS-19453 BRN 4398117 DTXSID90200517 m-Trifluoromethylphenethylamine SCHEMBL40017 {2-[3-(TRIFLUOROMETHYL)PHENYL]ETHYL}AMINE 2-(3-trifluoromethylphenyl)-ethylamine 3-(Trifluoromethoxy)phenethylamine BC226735 CK1123 KB-27921 MolPort-000-159-084 STL556722 (2-[3-(Trifluoromethyl)phenyl]ethyl)amine 2-(3-trifluoromethylphenyl)ethylamine 3-(Trifluoromethyl)phenethylamine, 98% AC1L2WD3 Benzeneethanamine,3-(trifluoromethyl)- CTK4J6037 m-(Trifluoromethyl)phenethylamine SBB084517 ZINC2389992 2-(3-trifluoromethyl-phenyl) ethyl amine 2-[3-(trifluoromethyl)phenyl]ethylamine 3-trifluoromethylphenethylamine AK117504 AS00489 EINECS 257-988-3 MCULE-2844602486 ST24039280 2-(3-trifluoromethylphenyl)ethanamine 3-(Trifluoromethyl)benzeneethanamine [ Show all ]
Inchi Key	BPVYCXMGJPKOTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2
PubChem CID	104223
ChEMBL	CHEMBL448523
IUPHAR	N/A
BindingDB	50262796
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	3950.0 nM	PMID18602830	BindingDB,ChEMBL
Emax	69.0 %	PMID18602830	ChEMBL

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