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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	MLS003777870
Molecular formula	C28H27Cl3N4O3
IUPAC name	(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide
Molecular weight	573.899
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	5.4
Synonyms	BDBM96860 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-(3-pyridyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1-oxo-3-(3-pyridinyl)propyl]-2-pyrrolidinecarboxamide;2,2,2-trifluoroacetic acid CHEMBL2365716 SMR002440850 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid cid_53361863 (2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-pyridin-3-yl-propanoyl]pyrrolidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid [ Show all ]
Inchi Key	BWEHDLNHAQMHPJ-DQEYMECFSA-N
Inchi ID	InChI=1S/C28H27Cl3N4O3/c29-20-9-10-21(23(31)16-20)26(36)34-24(15-18-5-3-12-32-17-18)28(38)35-14-4-8-25(35)27(37)33-13-11-19-6-1-2-7-22(19)30/h1-3,5-7,9-10,12,16-17,24-25H,4,8,11,13-15H2,(H,33,37)(H,34,36)/t24-,25-/m0/s1
PubChem CID	53361864
ChEMBL	N/A
IUPHAR	N/A
BindingDB	96860
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	4032.0 nM	N/A	BindingDB
IC50	2945.0 nM	N/A	BindingDB

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