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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	2C-C
Molecular formula	C10H14ClNO2
IUPAC name	2-(4-chloro-2,5-dimethoxyphenyl)ethanamine
Molecular weight	215.677
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.1
Synonyms	88441-14-9 SCHEMBL1048327 2,5-Dimethoxy-4-chloro-phenethylamine Benzeneethanamine, 4-chloro-2,5-dimethoxy- 2-(4-chloro-2,5-dimethoxyphenyl)ethylamine CHEMBL124733 1-(4-Chloro-2,5-dimethoxyphenyl)-2-ethanamine 441C149 AKOS022521811 UNII-0RO7MZY2LS 2,5-Dimethoxy-4-chlorophenethylamine CGKQFIWIPSIVAS-UHFFFAOYSA-N 0RO7MZY2LS DEA No. 7519 2,5-di-meo-4-cl-pea BDBM50240789 ZINC22058029 2-(4-Chloro-2,5-dimethoxy-phenyl)-ethylamine 1-(4-Chloro-2,5-dimethoxyphenyl)-2-aminoethane 4-Chloro-2,5-dimethoxy-phenethylamine [ Show all ]
Inchi Key	CGKQFIWIPSIVAS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3
PubChem CID	29979100
ChEMBL	CHEMBL124733
IUPHAR	N/A
BindingDB	50240789
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	3750.0 nM	PMID18602830	BindingDB,ChEMBL
Emax	30.0 %	PMID18602830	ChEMBL

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