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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	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 S-4287 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 SPECTRUM1505024 Lanzac AB00639907_08 Symbyax MFCD00866702 AJ-112146 Zalasta (TN) N7U69T4SZR BCP04917 Zyprexa NSC_4585 C17H20N4S Olanzapine (JAN/USAN/INN) CJ-20712 Olanzapine [USAN:INN] FT-0612957 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno-[2,3-b][1,5]benzodiazepine olanzapinum HY-14541 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1,5]benzodiazepine SBI-0206786.P001 KS-1090 5h-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)- SR-01000759343-6 LY 170053 AC-665 Tox21_111556_1 MLS001165781 ALBB-027265 Zolafren NCGC00096077-03 BDBM82479 Zyprexa Velotab 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 HMS3374L02 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; Lanzac; Zyprexa Rexapin (TN) 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 SCHEMBL28763 L000455 AB00639907-06 STL388024 LY170053 ACN-029909 Z1868057799 MolPort-002-885-845 ANW-46937 Zydis (TN) NCGC00096077-06 BR-57874 Olanzapine Neopharma D00454 EBD23216 132539-06-1 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 s2493 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 SR-01000759343 Lilly brand of olanzapine AB00639907_09 TL8000772 Midax AKOS000282888 ZINC3873830 NC00172 BCP9001021 Zyprexa (TN) O0393 CAS-132539-06-1 Olanzapine (OLA) CO0033 Olanzapine [USAN:USP:INN:BAN] DB00334 GTPL47 HMS2093I04 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine Olzapin I06-0784 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine SC-16244 KSC177A9B A806453 ST2417070 LY-170052 AC1L1IHS UNII-N7U69T4SZR MLS001195646 ALKS-7921 Zolafren (TN) NCGC00096077-04 BIDD:GT0332 Zyprexa 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)- HMS3393H05 2-methyl-4-(4-methyl-1-piperazinyl)-5H-thieno[3,2-c][1,5]benzodiazepine RT-003566 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 SMR000466345 L005958 AB00639907-07 SW220248-1 MCULE-1620364835 ACT03231 Zalasta MolPort-005-977-341 BC206213 Zypadhera NCGC00389791-02 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 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material HSDB 8155 2-methyl-4-(4-methylpiperazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diazepine SAM001246652 KS-00000XJV 539O061 SR-01000759343-4 LS-152313 AB1008596 Tox21_111556 MLS000759457 AKOS005566122 ZINC52957434 NCGC00096077-01 BDBM35254 Zyprexa Intramuscular Oferta CAS_132539-06-1 Olanzapine (Zyprexa) CPD000466345 Olanzapine, >=98% (HPLC) DSSTox_CID_3388 HMS2051H05 HMS2233F24 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine # Olzapin (TN) I960 SCHEMBL117695 KVWDHTXUZHCGIO-UHFFFAOYSA-N AB0013948 STK634338 LY-170053 ACMC-209wx7 US8802672, Olanzapine MLS001424057 AN-6960 Zydis NCGC00096077-05 BIDD:PXR0138 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)- [ 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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