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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	5.016 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	7.0 nM	PMID23466228	BindingDB
IC50	7.0 nM	PMID23466228	ChEMBL
IC50	9.0 nM	PMID8831770	BindingDB,ChEMBL
IC50	100.0 nM	PMID26227779	BindingDB,ChEMBL
Ki	1.433 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.585 nM	PMID17880057	ChEMBL
Ki	1.9 nM	PMID14998318, PMID11170639	BindingDB,ChEMBL
Ki	2.3 nM	PMID15771415	BindingDB,ChEMBL
Ki	2.5 nM	, PMID24559051, None	BindingDB,ChEMBL
Ki	3.3 nM	PMID18595716, PMID25070422	BindingDB,ChEMBL
Ki	4.0 nM	PMID23466228, PMID25343529, PMID19836247, PMID8831770	BindingDB,ChEMBL
Ki	4.0 nM	PMID23466228, PMID25343529	BindingDB
Ki	100.0 nM	MedChemComm, (2012) 3:5:580	ChEMBL

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