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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	CHEMBL280297
Molecular formula	C28H22F3N3O2
IUPAC name	5-methoxy-N-(3-phenyl-5-pyridin-3-ylphenyl)-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
Molecular weight	489.498
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.7
Synonyms	N-[3-(3-Pyridyl)-5-phenylphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydro-1H-indole-1-carboxamide 5-Methoxy-1-[5-phenyl-3-(pyrid-3-yl)phenylcarbamoyl]-6-trifluoromethyl Indoline SCHEMBL7041275 AQKLFYUGEBTKMZ-UHFFFAOYSA-N 5-Methoxy-6-trifluoromethyl-2,3-dihydro-indole-1-carboxylic acid (5-pyridin-3-yl-biphenyl-3-yl)-amide BDBM50086057 [ Show all ]
Inchi Key	AQKLFYUGEBTKMZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H22F3N3O2/c1-36-26-15-19-9-11-34(25(19)16-24(26)28(29,30)31)27(35)33-23-13-21(18-6-3-2-4-7-18)12-22(14-23)20-8-5-10-32-17-20/h2-8,10,12-17H,9,11H2,1H3,(H,33,35)
PubChem CID	10767350
ChEMBL	CHEMBL280297
IUPHAR	N/A
BindingDB	50086057
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
Ki	630.96 nM	PMID10737744	ChEMBL
Ki	631.0 nM	PMID10737744	BindingDB

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