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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	GSK137647A
Molecular formula	C16H19NO3S
IUPAC name	4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
Molecular weight	305.392
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	CBMicro_012617 GSK-137647A MFCD02007969 SMSF0014079 AKOS003261220 CS-5549 HY-19995 N-mesityl-4-methoxybenzenesulfonamide ST50719559 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide B7793 BIM-0012523.P001 FT-0700296 KS-00000TIW Oprea1_545891 [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine AJ-292/14925630 MolPort-000-626-674 SR-01000478738 349085-82-1 AOB2991 EU-0076636 J-690285 NCGC00387253-02 STK899558 BCP17136 CB15818 GSK 137647 MCULE-5583867808 SCHEMBL19357604 AK240703 CHEMBL3311308 GSK137647A, >=98% (HPLC) N-mesityl-4-methoxy-1-benzenesulfonamide SR-01000478738-1 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide AS-16737 BDBM50044849 EX-A1097 KB-3356964 Oprea1_349531 ZINC184126 AC1LEYMC [ Show all ]
Inchi Key	FQUAFMNPXPXOJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
PubChem CID	743974
ChEMBL	CHEMBL3311308
IUPHAR	N/A
BindingDB	50044849
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<39810.7 nM	PMID24881566	ChEMBL
EC50	>39811.0 nM	PMID24881566	BindingDB
IC50	<39810.7 nM	PMID24881566	ChEMBL
IC50	>39811.0 nM	PMID24881566	BindingDB

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