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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	CHEMBL1173061
Molecular formula	C22H19N5O2S2
IUPAC name	10-(benzenesulfonyl)-N-(1-phenylpropan-2-yl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
Molecular weight	449.547
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.7
Synonyms	AKOS021756849 HTS010301 CCG-165544 N-(1-methyl-2-phenylethyl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine 892730-41-5 F1609-0937 BDBM50322173 MCULE-1627815500 N-(1-phenylpropan-2-yl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine AKOS001937739 HMS3473M05 C22H19N5O2S2 MolPort-003-072-835 [ Show all ]
Inchi Key	AEIPBBCXMJIOKZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H19N5O2S2/c1-15(14-16-8-4-2-5-9-16)23-20-19-18(12-13-30-19)27-21(24-20)22(25-26-27)31(28,29)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,23,24)
PubChem CID	18560541
ChEMBL	CHEMBL1173061
IUPHAR	N/A
BindingDB	50322173
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	1080.0 nM	PMID20541425	BindingDB,ChEMBL

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