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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS003509126
Molecular formula	C22H25FN2O
IUPAC name	5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole
Molecular weight	352.453
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.4
Synonyms	5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-tris(fluoranyl)ethanoic acid CHEMBL2220732 5-butyl-1-(3-fluorophenethyl)-4-(2-methoxyphenyl)-1H-imidazole SMR002157300 cid_53300726 5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid VU0450098-1 BDBM96848 [ Show all ]
Inchi Key	CQMJBJHECXVYJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25FN2O/c1-3-4-11-20-22(19-10-5-6-12-21(19)26-2)24-16-25(20)14-13-17-8-7-9-18(23)15-17/h5-10,12,15-16H,3-4,11,13-14H2,1-2H3
PubChem CID	50985926
ChEMBL	N/A
IUPHAR	N/A
BindingDB	96848
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	2726.0 nM	N/A	BindingDB
IC50	4331.0 nM	N/A	BindingDB

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