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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	CHEMBL1256255
Molecular formula	C39H48ClN5O5S3
IUPAC name	5-chloro-N-[4-[8-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]octoxy]-3-piperazin-1-ylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide
Molecular weight	798.473
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	8.8
Synonyms	BDBM50328466 5-Chloro-N-(4-{[8-({[5-(dimethylamino)-1-naphthyl]sulfonyl}-amino)octyl]oxy}-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
Inchi Key	AJFCFFCXDVYDDM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C39H48ClN5O5S3/c1-28-33-26-29(40)16-19-37(33)51-39(28)53(48,49)43-30-17-18-36(35(27-30)45-23-21-41-22-24-45)50-25-9-7-5-4-6-8-20-42-52(46,47)38-15-11-12-31-32(38)13-10-14-34(31)44(2)3/h10-19,26-27,41-43H,4-9,20-25H2,1-3H3
PubChem CID	49781036
ChEMBL	CHEMBL1256255
IUPHAR	N/A
BindingDB	50328466
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Activity	700.0 a.u.	PMID20845907	ChEMBL
Ki	741.0 nM	PMID20845907	BindingDB,ChEMBL

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