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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	FLUPERLAPINE
Molecular formula	C19H20FN3
IUPAC name	3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine
Molecular weight	309.388
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.9
Synonyms	SAM001247034 ZINC26247473 67121-76-0 C10967 D0F8TG HMS2090H12 NC00343 NCGC00160388-03 SR-01000759288 3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b,e]azepine(fluperlapine) API0006718 CHEBI:5122 DSSTox_RID_81359 Fluperlapinum [INN-Latin] LS-176575 PDSP1_000472 Tox21_111780_1 (E)-3-fluoro-6-(4-methylpiperazin-1-yl)-11H-dibenzo[b,e]azepine 3-fluoro-6-(4-methylpiperazinyl)-11H-dibenz(b,e)azepine BPBio1_001099 CPD000449303 Fluperlapina GTPL279 NB 106-689 NCGC00160388-01 SCHEMBL142558 3-Fluoro-6-(4-methyl-1-piperazinyl)morphanthridine AB00639914-06 CAS-67121-76-0 DSSTox_CID_26123 Fluperlapine [INN] HMS3394M07 NCGC00160388-04 SR-01000759288-4 3-fluoro-6-(4-methyl-piperazinyl)-11h-dibenz-(b,e)-azepine BDBM50040241 DTXSID2046123 FT-0081219 MLS000758217 PDSP2_000470 UNII-EWG253M961 BRD-K15715913-001-01-5 CTK8F9821 Fluperlapina [INN-Spanish] HMS2052M07 NB-106689 NCGC00160388-02 SMR000449303 3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b,e]azepine AC1L2LPB CCG-101093 DSSTox_GSID_46123 Fluperlapinum L000256 OBWGMKKHCLHVIE-UHFFFAOYSA-N Tox21_111780 3-fluoro-6-(4-methylpiperazin-1-yl)-11H-benzo[c][1]benzazepine Biomol-NT_000093 CHEMBL63756 EWG253M961 FT-0651061 MLS001424156 [ Show all ]
Inchi Key	OBWGMKKHCLHVIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3
PubChem CID	49381
ChEMBL	CHEMBL63756
IUPHAR	279
BindingDB	50040241
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	29.0 nM	PMID8522988	PDSP,BindingDB
Ki	31.6228 - 50.1187 nM	PMID8522988, PMID15821958	IUPHAR

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