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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	Propranolol, L-
Molecular formula	C16H21NO2
IUPAC name	(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	ZINC56556 (S)-propranolol BCBcMAP01_000208 BRD-K13994703-003-10-9 EINECS 224-095-5 KBio2_002948 LS-122524 NCGC00024813-08 SCHEMBL3956 1-propranolol AB00514695-07 Bio2_000840 BSPBio_001122 HMS1792D21 KBio3_000740 NCGC00024813-03 Prestwick0_001081 UNII-74MLR03FLC (2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol 4199-09-1 AJ-09309 BRD-K13994703-001-02-0 CHEMBL452861 IDI1_002115 Levopropranolol NCGC00024813-06 Prestwick3_001075 S-(-)-propanolol [2-Hydroxy-3-(naphthalen-1-yloxy)-propyl]-isopropyl-ammonium((-)-propranolol) 1-((1-methylethyl)amino) 3-(1-naphthalenyloxy) 2-propanol 74MLR03FLC BDBM50246936 BSPBio_001040 GTPL63 KBio2_005516 NCGC00024813-01 PDSP1_000768 SPBio_003021 (-)-(S)-Propranolol 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)- AB00514695_08 BPBio1_001200 CCG-205103 HMS1990D21 KBioGR_000380 NCGC00024813-04 Prestwick1_001081 Prestwick3_001081 UNII-9Y8NXQ24VQ component AQHHHDLHHXJYJD-AWEZNQCLSA-N (S)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol AQHHHDLHHXJYJD-AWEZNQCLSA-N BRD-K13994703-003-04-2 CTK4I5506 KBio2_000380 Lopac0_001023 NCGC00024813-07 SBI-0050996.P003 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol AB00514695 Bio2_000360 BSPBio_001090 HMS1362D21 KBio3_000739 NCGC00024813-02 PDSP2_000756 Tocris-0834 (-)-propranolol 2-Propanol,1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2S)- AC1L3M9V BPBio1_001236 HMS2089B07 KBioSS_000380 NCGC00024813-05 Prestwick2_001081 [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-AWEZNQCLSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
PubChem CID	91536
ChEMBL	CHEMBL452861
IUPHAR	63
BindingDB	50246936
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	998.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	463.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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