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GLASS

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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	MLS001181838
Molecular formula	C15H15N3O2
IUPAC name	N-[4-(phenylcarbamoylamino)phenyl]acetamide
Molecular weight	269.304
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	2.2
Synonyms	1967-24-4 BRD-K27791237-001-09-4 IDI1_032019 N-[4-[[anilino(oxo)methyl]amino]phenyl]acetamide Z44583833 AC1LG0JG MCULE-2587637680 Oprea1_604139 BDBM96777 HMS1525B07 N-[4-(phenylcarbamoylamino)phenyl]acetamide SR-01000639722-1 Cambridge id 5259921 KB-122306 N-{4-[(anilinocarbonyl)amino]phenyl}acetamide ZINC236869 AC1Q1KXW CHEMBL1451121 SCHEMBL19501793 BRD-K27791237-001-01-1 HMS2871E03 N-[4-(phenylcarbamoylamino)phenyl]ethanamide STL025097 AB00077267-01 CCG-50337 Maybridge4_001437 N-{4-[(phenylcarbamoyl)amino]phenyl}acetamide AKOS001016342 cid_763210 MolPort-001-860-075 SMR000567591 [ Show all ]
Inchi Key	CDXOLTRKVPVLMP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H15N3O2/c1-11(19)16-13-7-9-14(10-8-13)18-15(20)17-12-5-3-2-4-6-12/h2-10H,1H3,(H,16,19)(H2,17,18,20)
PubChem CID	763210
ChEMBL	CHEMBL1451121
IUPHAR	N/A
BindingDB	96777
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	<1.5 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	22356.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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