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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	MLS002206728
Molecular formula	C17H15N5O2S
IUPAC name	5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide
Molecular weight	353.4
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.9
Synonyms	CHEMBL1715965 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-thiazol-2-yl-1H-imidazole-4-carboxamide HMS3330P16 BDBM96811 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide cid_42601283 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(2-thiazolyl)-1H-imidazole-4-carboxamide 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,3-thiazol-2-yl)-1H-imidazole-4-carboxamide HMS2218C08 SMR001306558 [ Show all ]
Inchi Key	CPICWGTYXBYFQI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H15N5O2S/c23-15(21-17-18-6-8-25-17)13-14(20-10-19-13)16(24)22-7-5-11-3-1-2-4-12(11)9-22/h1-4,6,8,10H,5,7,9H2,(H,19,20)(H,18,21,23)
PubChem CID	42601283
ChEMBL	CHEMBL1715965
IUPHAR	N/A
BindingDB	96811
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	857.57 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	4951.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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