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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	CHEMBL249034
Molecular formula	C17H19ClN4O2
IUPAC name	N-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-1-ylaniline
Molecular weight	346.815
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	N-(4-chlorobenzyl)-2-nitro-5-(piperazin-1-yl)aniline STK039817 BDBM50223292 Oprea1_273228 MCULE-7762313651 SR-01000423868-1 AC1MFEYE N-(4-chlorobenzyl)-2-nitro-5-(piperazin-1-yl)benzenamine ZINC4608369 SCHEMBL2482884 MolPort-001-000-948 ST45024105 AKOS000294698 N-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-1-ylaniline [(4-chlorophenyl)methyl](2-nitro-5-piperazinylphenyl)amine SR-01000423868 [ Show all ]
Inchi Key	AARDSTBEQZRSQU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19ClN4O2/c18-14-3-1-13(2-4-14)12-20-16-11-15(5-6-17(16)22(23)24)21-9-7-19-8-10-21/h1-6,11,19-20H,7-10,12H2
PubChem CID	2870667
ChEMBL	CHEMBL249034
IUPHAR	N/A
BindingDB	50223292
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	8.0 nM	PMID17892934	BindingDB,ChEMBL

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