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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	SB-258585
Molecular formula	C18H22IN3O3S
IUPAC name	4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
Molecular weight	487.356
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM86428 NCGC00025328-01 ZINC3923836 CHEBI:93418 SB-258,585 4-iodo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide D0L7PA SCHEMBL678180 Benzenesulfonamide, 4-iodo-N-(4-methoxy-3-(4-methyl-1-piperazinyl)phenyl)- NCGC00025328-02 4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzene-1-sulfonamide AC1MN2NM GTPL3232 Tocris-1961 BRD-K80639402-003-01-1 SB 258585 4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide CHEMBL60264 SB258585 [ Show all ]
Inchi Key	BDHMSYNBSBZCAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3
PubChem CID	3248571
ChEMBL	CHEMBL60264
IUPHAR	3232
BindingDB	86428
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	19.0 nM	PMID23820387	ChEMBL
Inhibition	97.7 %	PMID23820387, PMID23810425	ChEMBL
Ki	1.82 nM	PMID14645659	BindingDB
Ki	2.5 nM	PMID15974573	BindingDB
Ki	2.512 nM	PMID15974573, PMID9925723	ChEMBL
Ki	2.95121 nM	PMID10928963	IUPHAR

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