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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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	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 Neopharma D00454 EBD23216 132539-06-1 Zyprexa S-4287 SPECTRUM1505024 Symbyax Zalasta (TN) 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 CAS-132539-06-1 Olanzapine (OLA) CO0033 Olanzapine [USAN:USP:INN:BAN] DB00334 GTPL47 Zolafren Zyprexa Velotab olanzapinum SBI-0206786.P001 SR-01000759343-6 Tox21_111556_1 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 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)- Zydis (TN) Rexapin (TN) SCHEMBL28763 STL388024 Z1868057799 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 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 Zyprexa (TN) s2493 SR-01000759343 TL8000772 ZINC3873830 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 CAS_132539-06-1 Olanzapine (Zyprexa) CPD000466345 Olanzapine, >=98% (HPLC) DSSTox_CID_3388 HMS2051H05 Zolafren (TN) Zyprexa Zydis Olzapin SC-16244 ST2417070 UNII-N7U69T4SZR 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 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)- Zypadhera RT-003566 SMR000466345 SW220248-1 Zalasta 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 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 ZINC52957434 Zyprexa Intramuscular Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material SAM001246652 SR-01000759343-4 Tox21_111556 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 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 Zydis Olzapin (TN) SCHEMBL117695 STK634338 US8802672, Olanzapine [ 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
Ki	1000.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL

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