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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 6
Species	Homo sapiens (Human)
Gene	HTR6
Synonym	5-HT6 receptor 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled 5-HT-6 serotonin receptor 6 ST-B17 5-HT6 [ Show all ]
Disease	Schizophrenia Obesity Neurological disease Neurodegenerative disease Emesis Cognitive disorders Unspecified Anxiety disorder Alzheimer disease; Dementia Alzheimer disease; Anxiety disorder Alzheimer disease [ Show all ]
Length	440
Amino acid sequence	MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProt	P50406
Protein Data Bank	N/A
GPCR-HGmod model	P50406
3D structure model	This predicted structure model is from GPCR-EXP P50406.
BioLiP	N/A
Therapeutic Target Database	T16691
ChEMBL	CHEMBL3371
IUPHAR	11
DrugBank	BE0000945

Ligand

Name	CHEMBL1080899
Molecular formula	C22H21N3O2S
IUPAC name	8-[1-(1-methylpyrrolidin-3-yl)indol-3-yl]sulfonylquinoline
Molecular weight	391.489
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.2
Synonyms	8-(1-(1-methylpyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quinoline BDBM50313126
Inchi Key	AJEWXUIXKDZAJB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21N3O2S/c1-24-13-11-17(14-24)25-15-21(18-8-2-3-9-19(18)25)28(26,27)20-10-4-6-16-7-5-12-23-22(16)20/h2-10,12,15,17H,11,13-14H2,1H3
PubChem CID	46880759
ChEMBL	CHEMBL1080899
IUPHAR	N/A
BindingDB	50313126
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	76.0 nM	PMID20138763	BindingDB,ChEMBL
Imax	97.0 %	PMID20138763	ChEMBL
Ki	2.8 nM	PMID20138763	BindingDB,ChEMBL

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