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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	olanzapine
Molecular formula	C17H20N4S
IUPAC name	2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
Molecular weight	312.435
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	RT-003566 SMR000466345 SW220248-1 Zalasta Zypadhera Olanzapine Neopharma D00454 EBD23216 132539-06-1 HMS3374L02 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; Lanzac; Zyprexa J-006186 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0(3),?]tetradeca-1(14),3(7),5,8,10,12-hexaene L000455 AB00639907-06 LY170053 ACN-029909 MolPort-002-885-845 ANW-46937 NCGC00096077-06 BR-57874 Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material SAM001246652 SR-01000759343-4 Tox21_111556 ZINC52957434 Zyprexa Intramuscular CAS-132539-06-1 Olanzapine (OLA) CO0033 Olanzapine [USAN:USP:INN:BAN] DB00334 GTPL47 2-methyl-4-(4-methyl-1-piperazinyl)-10 H-thieno[2,3-b ] [1,5]benzodiazepine HMS3714J03 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine KB-231450 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaene Lilly brand of olanzapine AB00639907_09 Midax AKOS000282888 NC00172 BCP9001021 O0393 Olzapin (TN) SCHEMBL117695 STK634338 US8802672, Olanzapine Zydis Olanzapin CHEBI:7735 Olanzapine for system suitability, European Pharmacopoeia (EP) Reference Standard CTK0H7090 Olanzapine, Pharmaceutical Secondary Standard; Certified Reference Material DSSTox_RID_77010 10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)- HMS2093I04 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine I06-0784 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine KSC177A9B A806453 LY-170052 AC1L1IHS MLS001195646 ALKS-7921 NCGC00096077-04 BIDD:GT0332 S-4287 SPECTRUM1505024 Symbyax Zalasta (TN) Zyprexa C07322 Olanzapine Teva CHEMBL715 Olanzapine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material D0V4QS Eli Lilly brand of olanzapine 2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine HMS3393H05 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine J10363 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0(3),]tetradeca-1(14),3(7),5,8,10,12-hexaene L005958 AB00639907-07 MCULE-1620364835 ACT03231 MolPort-005-977-341 BC206213 NCGC00389791-02 olanzapinum SBI-0206786.P001 SR-01000759343-6 Tox21_111556_1 Zolafren Zyprexa Velotab CAS_132539-06-1 Olanzapine (Zyprexa) CPD000466345 Olanzapine, >=98% (HPLC) DSSTox_CID_3388 HMS2051H05 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine HSDB 8155 2-methyl-4-(4-methylpiperazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diazepine KS-00000XJV 539O061 LS-152313 AB1008596 MLS000759457 AKOS005566122 NCGC00096077-01 BDBM35254 Oferta Rexapin (TN) SCHEMBL28763 STL388024 Z1868057799 Zydis (TN) olanzapina CHEBI:94534 Olanzapine Mylan CTK6I2959 Olanzapine, United States Pharmacopeia (USP) Reference Standard DTXSID9023388 10H-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)- HMS2233F24 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine # I960 KVWDHTXUZHCGIO-UHFFFAOYSA-N AB0013948 LY-170053 ACMC-209wx7 MLS001424057 AN-6960 NCGC00096077-05 BIDD:PXR0138 s2493 SR-01000759343 TL8000772 ZINC3873830 Zyprexa (TN) C17H20N4S Olanzapine (JAN/USAN/INN) CJ-20712 Olanzapine [USAN:INN] FT-0612957 2-methyl-4-(4-methyl-1-piperazinyl)-10 H -thieno[2,3- b ] [1,5]benzodiazepine HMS3657I15 2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine Jsp001969 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),2,5,7,11,13-hexaene Lanzac AB00639907_08 MFCD00866702 AJ-112146 N7U69T4SZR BCP04917 NSC_4585 Olzapin SC-16244 ST2417070 UNII-N7U69T4SZR Zolafren (TN) Zyprexa Zydis Olansek CCG-100922 Olanzapine 1.0 mg/ml in Acetonitrile CS-1114 Olanzapine, European Pharmacopoeia (EP) Reference Standard DSSTox_GSID_23388 (E)-2-methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine HMS2089M04 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine HY-14541 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1,5]benzodiazepine KS-1090 5h-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)- LY 170053 AC-665 MLS001165781 ALBB-027265 NCGC00096077-03 BDBM82479 [ Show all ]
Inchi Key	KVWDHTXUZHCGIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
PubChem CID	135398745
ChEMBL	CHEMBL715
IUPHAR	N/A
BindingDB	35254
DrugBank	DB00334
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	13.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	5.0 nM	PMID22926225	BindingDB,ChEMBL
Ki	6.0 nM	PMID20719507	BindingDB,ChEMBL
Ki	6.109 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	7.0 nM	PMID24691057, PMID25435254	BindingDB
Ki	7.0 nM	PMID24691057, PMID25435254	ChEMBL
Ki	7.943 nM	PMID17880057	ChEMBL
Ki	10.0 nM	PMID18595716, MedChemComm, (2012) 3:5:580	BindingDB,ChEMBL
Ki	>50.0 nM	PMID15771424	ChEMBL

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