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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	mianserin
Molecular formula	C18H20N2
IUPAC name	5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
Molecular weight	264.372
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.4
Synonyms	NCGC00015656-08 5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8(13),9,11,16,18-hexaene Norval (TN) API0000656 SBI-0050722.P003 BRD-A19661776-003-16-9 Spectrum_001810 Dibenzo[c,f]pyrazino[1,2-a]azepine, 1,2,3,4,10,14b-hexahydro-2-methyl- GTPL135 KBio2_007437 Mianserine [INN-French] 1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine 2-Methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine NCGC00015656-12 AC-631 PDSP2_001516 Bolvidon (TN) SPBio_001997 BSPBio_003511 Tolvon (TN) D08216 DSSTox_GSID_23317 HY-B0188 KBioSS_002303 Mianserin Monohydrochloride Mianseryna NCGC00015656-05 24219-97-4 NINDS_000844 AM20041174 Prestwick2_000099 BRD-A19661776-001-01-5 Spectrum4_001260 CCG-204829 UEQUQVLFIPOEMF-UHFFFAOYSA-N DB06148 EINECS 246-088-6 KBio2_002301 Lopac0_000744 Mianserina [INN-Spanish] (+-)-Athymil NCGC00015656-09 5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(19),8,10,12,15,17-hexaene Oprea1_703627 BDBM50222218 SCHEMBL18020 BRN 0755346 Tolvan CHEMBL6437 DivK1c_000844 HMS2089A04 KBio3_003016 Mianserin (INN) Mianserinum 1,2,3,4,10,14b-hexahydro-2-methyldibenzo[c,f]pyrazino[1,2-a]azepine 2-Methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine # NCGC00024926-03 AC1L1HLP Prestwick0_000099 BPBio1_000064 Spectrum2_001203 C18H20N2 Tox21_110191 D0R6RO DSSTox_RID_76974 IDI1_000844 L000736 Mianserin [INN:BAN] Mianseryna [Polish] NCGC00015656-06 5-methyl-2,5-diazatetracyclo[13.4.0.0;{2,7}.0;{8,13}]nonadeca-1(15),8(13),9,11,16,18-hexaene Norval AN-15691 Prestwick3_000099 BRD-A19661776-003-05-2 Spectrum5_001772 CHEBI:51137 X5019 Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl- FT-0697022 KBio2_004869 LS-61197 Mianserine NCGC00015656-10 78684-63-6 PDSP1_001532 Biomol-NT_000135 SPBio_000986 BSPBio_000058 Tolvin (TN) CS-2078 DSSTox_CID_3317 HSDB 7182 KBioGR_001820 mianserin a Mianserinum [INN-Latin] 21535-47-7 (mono-hydrochloride) NCGC00024926-04 AKOS005216268 Prestwick1_000099 BPBio1_000331 Spectrum3_001836 CAS-24219-97-4 Tox21_110191_1 DTXSID6023317 KBio1_000844 Lerivon Mianserina NCGC00015656-04 [ Show all ]
Inchi Key	UEQUQVLFIPOEMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
PubChem CID	4184
ChEMBL	CHEMBL6437
IUPHAR	135
BindingDB	N/A
DrugBank	DB06148
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	1.764 nM	DrugMatrix in vitro pharmacology data	ChEMBL
IC50	10.47 nM	PMID11755364	ChEMBL
IC50	20.89 nM	PMID11755365	ChEMBL
Ki	0.251188 - 19.9526 nM	PMID10611634, PMID15322733, PMID15107597	IUPHAR
Ki	0.504 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.58 nM	PMID10611634	PDSP
Ki	3.98 nM	PMID7582481	PDSP
Ki	4.07 nM	PMID9225287	PDSP
Ki	4.3 nM	PMID15771415	PDSP,ChEMBL
Ki	6.3 nM	PMID7582481	PDSP
Ki	8.1 nM	PMID23301527	ChEMBL
Ki	8.128 nM	PMID23301527	ChEMBL
Ki	18.197 nM	PMID15322733	PDSP
Ki	24.0 nM	Hoyer et al., PMID1987	PDSP
Ki	26.92 nM	PMID23301527	ChEMBL
Ki	27.0 nM	PMID23301527	ChEMBL
Ki	56.0 nM	Elliot & Kent, PMID1989	PDSP

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