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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	MLS000675224
Molecular formula	C20H26BrN3O5S3
IUPAC name	4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
Molecular weight	564.528
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.2
Synonyms	BDBM96690 N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-({[(5-bromothien-2-yl)sulfonyl]amino}methyl)cyclohexanecarboxamide 4-[[(5-bromo-2-thienyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexanecarboxamide cid_16193924 MLS003879521 SMR000313946 4-[[(5-bromo-2-thiophenyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1-cyclohexanecarboxamide HMS2662L13 AKOS001806273 MolPort-007-611-709 4-[[(5-bromanylthiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide CHEMBL1429050 ZINC17357068 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide [ Show all ]
Inchi Key	CBOQERIHQXTZHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26BrN3O5S3/c21-18-9-10-19(30-18)32(28,29)24-13-15-1-5-16(6-2-15)20(25)23-12-11-14-3-7-17(8-4-14)31(22,26)27/h3-4,7-10,15-16,24H,1-2,5-6,11-13H2,(H,23,25)(H2,22,26,27)
PubChem CID	16193924
ChEMBL	CHEMBL1429050
IUPHAR	N/A
BindingDB	96690
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<29913.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	1161.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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