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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	sulconazole
Molecular formula	C18H15Cl3N2S
IUPAC name	1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Molecular weight	397.742
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	6.1
Synonyms	AB00053607_16 AX8152129 C08076 D0X8XA KBio1_000220 NCGC00018250-02 SPBio_001524 Sulconazol [INN-Spanish] ( -)-1-(2,4-Dichlor-beta-((4-chlorbenzyl)thio)phenethyl)imidazol 1-[2-(4-Chloro-benzylsulfanyl)-2-(2,4-dichloro-phenyl)-ethyl]-1H-imidazole 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole AC-13116 BRD-A70649075-008-05-0 CHEBI:77776 DTXSID8044129 KBio2_007032 Prestwick1_000810 Spectrum3_001457 Sulconazole [INN:BAN] (+-)-1-(2,4-dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole 61318-90-9 AKOS015961204 BSPBio_002953 cid_65495 IDI1_000220 KBioSS_001896 SBI-0051660.P002 Spectrum_001416 Sulcosyn 1-(beta-(4''-chlorobenzylthio)-2'4'-dichlorophenethyl)imidazole 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole AB00053607_17 BDBM31770 C18H15Cl3N2S DB06820 KBio2_001896 NINDS_000220 SPBio_002600 ( -)-1-(2,4-dichloro-beta-((p-chlorobenzyl)thio)phenethyl)imidazole 1H-Imidazole, 1-(2-(((4-chlorophenyl)methyl)thio)-2-(2,4-dichlorophenyl)ethyl)-, (+-)- AC1L1K35 BRD-A70649075-008-17-5 Exelderm KBio3_002453 Prestwick2_000810 Spectrum4_000436 Sulconazolum 1-(2-((4-Chlorobenzyl)thio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole AB00053607 API0004256 C-21661 D08535 KB-212468 LS-176163 SCHEMBL34761 Sulconazol 1-[2,4-dichloro-beta-(4-chlorobenzylthio)phenethyl]imidazole 1-[beta-[(4-Chlorobenzyl)thio]-2,4-dichlorophenethyl]-1H-imidazole AB0010744 BPBio1_000747 CC-34587 DivK1c_000220 KBio2_004464 Prestwick0_000810 Spectrum2_001422 Sulconazole (INN) (+-)-1-(2,4-Dichlor-beta-((4-chlorbenzyl)thio)phenethyl)imidazol 1H-Imidazole, 1-[2-[[(4-chlorophenyl)methyl]thio]-2-(2,4-dichlorophenyl)ethyl]- AFNXATANNDIXLG-UHFFFAOYSA-N BSPBio_000679 CHEMBL1221 FT-0630725 KBioGR_000792 Prestwick3_000810 Spectrum5_001155 Sulconazolum [INN-Latin] 1-(2-(4-chlorobenzylthio)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole [ Show all ]
Inchi Key	AFNXATANNDIXLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
PubChem CID	5318
ChEMBL	CHEMBL1221
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3929.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1122.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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