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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	CHEMBL492301
Molecular formula	C21H25ClN2O3S
IUPAC name	7-[4-(2-chlorophenoxy)piperidin-1-yl]sulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Molecular weight	420.952
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50257621 7-(4-(2-chlorophenoxy)piperidin-1-ylsulfonyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Inchi Key	ZVFFUTQAERXNNF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25ClN2O3S/c22-20-3-1-2-4-21(20)27-18-9-13-24(14-10-18)28(25,26)19-6-5-16-7-11-23-12-8-17(16)15-19/h1-6,15,18,23H,7-14H2
PubChem CID	44225654
ChEMBL	CHEMBL492301
IUPHAR	N/A
BindingDB	50257621
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	32.0 nM	PMID19269173	BindingDB,ChEMBL
Emax	70.0 %	PMID19269173	ChEMBL

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