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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	Zacopride
Molecular formula	C15H20ClN3O2
IUPAC name	4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide
Molecular weight	309.794
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.7
Synonyms	LS-178113 Zacoprida [Spanish] (zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide 4-amino-n-(1-azabicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxybenzamide AC1L33HT PDSP2_001600 ZACOPRIDE,R 4-amino-5-iodo-2-methoxy-N-(1-azabicyclo(2.2.2)oct-3-yl)benzamide 4-Amino-N-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2-methoxybenzamide Benzamide, 4-amino-N-1-azabicyclo(2.2.2)oct-3-yl-5-chloro-2-methoxy- FEROPKNOYKURCJ-UHFFFAOYSA-N SCHEMBL16003 Zacopridum (.+/-.)-Zacopride 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide(zacopride) C15H20ClN3O2 iodozacopride PDSP1_001616 4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2-methoxybenzamide AC1Q3LTX CHEMBL18041 PDSP2_001687 ZACOPRIDE,RS 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide 4-amino-n-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide BRD-A65615053-003-01-4 GTPL245 L001315 Zacoprida Zacopridum [Latin] (RS)-Zacopride 4-amino-N-(1-azabicyclo(2,2,2)oct-3-yl)-5-chloro-2-methoxybenzamide-2-butenedioate 90182-92-6 CHEBI:91810 PDSP1_001704 Zacopride [INN] 4-amino-N-(1-azabicyclo[2.2.2]octan-8-yl)-5-chloro-2-methoxybenzamide BDBM50000492 DTXSID1048251 Racemic zacopride ZACOPRIDE,S 4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide (Zacopride) 4-AMINO-N-1-AZABICYCLO[2.2.2]OCT-3-YL-5-CHLORO-2-METHOXYBENZAMIDE HYDROCHLORIDE BRD-A65615053-311-05-2 HTR5A4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl)-5-chloro-2-methoxy-benzamide [ Show all ]
Inchi Key	FEROPKNOYKURCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
PubChem CID	108182
ChEMBL	CHEMBL18041
IUPHAR	245
BindingDB	50000492
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1348.96 nM	PMID9225287	PDSP,BindingDB

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