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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	MLS002245100
Molecular formula	C19H21ClN4O3
IUPAC name	N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide
Molecular weight	388.852
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	1.9
Synonyms	ZINC8038245 N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide HMS3044I22 SMR001308765 3-[[anilino(oxo)methyl]amino]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpropanamide MolPort-004-153-983 AKOS033969619 CHEMBL1699232 N-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-3-(phenylcarbamoylamino)propanamide MCULE-6367844649 Z26604904 879138-60-0 N-[2-(2-chloroanilino)-2-keto-ethyl]-N-methyl-3-(phenylcarbamoylamino)propionamide BDBM96816 cid_16292840 N-{[(2-chlorophenyl)carbamoyl]methyl}-N-methyl-3-[(phenylcarbamoyl)amino]propanamide [ Show all ]
Inchi Key	BWBWSSQSBXNODV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN4O3/c1-24(13-17(25)23-16-10-6-5-9-15(16)20)18(26)11-12-21-19(27)22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,25)(H2,21,22,27)
PubChem CID	16292840
ChEMBL	CHEMBL1699232
IUPHAR	N/A
BindingDB	96816
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	<29895.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	19996.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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