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GLASS

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

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL315
IUPHAR	23
DrugBank	N/A

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	I06-0784 2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine KSC177A9B A806453 LY-170052 s2493 AC1L1IHS MLS001195646 SR-01000759343 ALKS-7921 NCGC00096077-04 TL8000772 BIDD:GT0332 Olanzapin ZINC3873830 CHEBI:7735 Olanzapine for system suitability, European Pharmacopoeia (EP) Reference Standard Zyprexa (TN) 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 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 Olzapin AB00639907-07 MCULE-1620364835 SC-16244 ACT03231 MolPort-005-977-341 ST2417070 BC206213 NCGC00389791-02 UNII-N7U69T4SZR C07322 Olanzapine Teva Zolafren (TN) CHEMBL715 Olanzapine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material Zyprexa Zydis 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 2-methyl-4-(4-methylpiperazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diazepine KS-00000XJV 539O061 LS-152313 RT-003566 AB1008596 MLS000759457 SMR000466345 AKOS005566122 NCGC00096077-01 SW220248-1 BDBM35254 Oferta Zalasta CAS_132539-06-1 Olanzapine (Zyprexa) Zypadhera 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 I960 KVWDHTXUZHCGIO-UHFFFAOYSA-N Olanzapine-d8, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material AB0013948 LY-170053 SAM001246652 ACMC-209wx7 MLS001424057 SR-01000759343-4 AN-6960 NCGC00096077-05 Tox21_111556 BIDD:PXR0138 olanzapina ZINC52957434 CHEBI:94534 Olanzapine Mylan Zyprexa Intramuscular 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 # 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 Olzapin (TN) AB00639907_08 MFCD00866702 SCHEMBL117695 AJ-112146 N7U69T4SZR STK634338 BCP04917 NSC_4585 US8802672, Olanzapine C17H20N4S Olanzapine (JAN/USAN/INN) Zydis 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)-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 S-4287 AC-665 MLS001165781 SPECTRUM1505024 ALBB-027265 NCGC00096077-03 Symbyax BDBM82479 Olansek Zalasta (TN) CCG-100922 Olanzapine 1.0 mg/ml in Acetonitrile Zyprexa 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 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 olanzapinum AB00639907-06 LY170053 SBI-0206786.P001 ACN-029909 MolPort-002-885-845 SR-01000759343-6 ANW-46937 NCGC00096077-06 Tox21_111556_1 BR-57874 Zolafren Olanzapine Neopharma Zyprexa Velotab D00454 EBD23216 132539-06-1 HMS3374L02 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; Lanzac; Zyprexa 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 Rexapin (TN) AB00639907_09 Midax SCHEMBL28763 AKOS000282888 NC00172 STL388024 BCP9001021 O0393 Z1868057799 CAS-132539-06-1 Olanzapine (OLA) Zydis (TN) 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 [ 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
IC50	37.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	21.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	69.0 nM	PMID24559051	BindingDB,ChEMBL

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