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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL360492
Molecular formula	C11H13ClFN
IUPAC name	7-chloro-8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Molecular weight	213.68
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.8
Synonyms	AELPHXGUKIVCSY-UHFFFAOYSA-N 8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine BDBM50161633 (1R,S)-8-chloro-7-fluoro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine SCHEMBL1094681 8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine [ Show all ]
Inchi Key	AELPHXGUKIVCSY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H13ClFN/c1-7-6-14-3-2-8-4-11(13)10(12)5-9(7)8/h4-5,7,14H,2-3,6H2,1H3
PubChem CID	9990808
ChEMBL	CHEMBL360492
IUPHAR	N/A
BindingDB	50161633
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	63.1 nM	PMID18095642	ChEMBL
EC50	72.0 nM	PMID15713408	BindingDB,ChEMBL

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