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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	MLS000124020
Molecular formula	C16H17ClN4O2
IUPAC name	4-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
Molecular weight	332.788
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	None
Synonyms	MCULE-7500342426 4-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol Hydrochloride SMR000124610 1052411-84-3 AC1MFW38 SR-01000778029 CHEMBL1537381 4-((4-((2-hydroxyethyl)amino)quinazolin-2-yl)amino)phenol hydrochloride MolPort-002-265-645 AKOS032411446 SR-01000778029-3 [ Show all ]
Inchi Key	CUOKLCAXERSWMN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16N4O2.ClH/c21-10-9-17-15-13-3-1-2-4-14(13)19-16(20-15)18-11-5-7-12(22)8-6-11;/h1-8,21-22H,9-10H2,(H2,17,18,19,20);1H
PubChem CID	2951613
ChEMBL	CHEMBL1537381
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	578.06 nM	PubChem BioAssay data set	ChEMBL
IC50	1636.0 nM	PubChem BioAssay data set	ChEMBL

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