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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	MLS003777904
Molecular formula	C29H30ClN3O3
IUPAC name	(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide
Molecular weight	504.027
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	5.2
Synonyms	(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylbenzoyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide CHEMBL2360290 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2-methylphenyl)carbonylamino]-2-phenyl-ethanoyl]pyrrolidine-2-carboxamide SMR002440884 BDBM96877 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-(o-toluoylamino)-2-phenyl-acetyl]pyrrolidine-2-carboxamide cid_53361906 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]-2-pyrrolidinecarboxamide VU0453837-1 [ Show all ]
Inchi Key	BSZANXVQBHWUHH-UIOOFZCWSA-N
Inchi ID	InChI=1S/C29H30ClN3O3/c1-20-10-5-7-14-23(20)27(34)32-26(22-12-3-2-4-13-22)29(36)33-19-9-16-25(33)28(35)31-18-17-21-11-6-8-15-24(21)30/h2-8,10-15,25-26H,9,16-19H2,1H3,(H,31,35)(H,32,34)/t25-,26-/m0/s1
PubChem CID	53361906
ChEMBL	CHEMBL2360290
IUPHAR	N/A
BindingDB	96877
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	6116.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	7722.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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