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GLASS

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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	CHEMBL76237
Molecular formula	C19H22N2O3S
IUPAC name	2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
Molecular weight	358.456
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	AC1OCFKC NCGC00371046-02 PDSP2_000370 263384-65-2 MS245 ZINC13553349 BDBM34141 PDSP1_000372 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine KB-78965 PDSP2_000371 N,N-Dimethyl-1-(phenylsulfonyl)-5-methoxy-1H-indole-3-ethanamine PDSP1_000373 2-[5-methoxy-1-(phenylsulfonyl)-1h-indol-3-yl]-N,N-dimethylethanamine MS-245 SCHEMBL5499070 [ Show all ]
Inchi Key	AIJIQCBYMBZLJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
PubChem CID	6918542
ChEMBL	CHEMBL76237
IUPHAR	N/A
BindingDB	34141
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Affinity	16.0 nM	PMID15658848	ChEMBL
Kb	5.8 nM	PMID21724392	ChEMBL
Kd	1.318 nM	PMID12825922	ChEMBL
Ki	2.0 nM	PMID15990303, PMID19758807, PMID15357994, PMID19159187	BindingDB,ChEMBL
Ki	2.1 nM	PMID18201064, PMID21724392, PMID15745826, PMID12825922, Med Chem Res, (2005) 14:1:1	BindingDB,ChEMBL
Ki	2.3 nM	PMID16125933, PMID23036955, PMID12825922, PMID24850589, PMID11055342, PMID26099069, PMID17948978, PMID11689074, PMID19433358, PMID18053713, PMID12951125	BindingDB,ChEMBL
Ki	2.5 nM	PMID15974573	BindingDB
Ki	2.512 nM	PMID21190848, PMID15974573	ChEMBL
Ki	>50.0 nM	PMID15771424	ChEMBL
pA2	8.88 nM	PMID11055342	ChEMBL

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