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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	Mus musculus (Mouse)
Gene	Htr2a
Synonym	serotonin 5HT-2 receptor 5Ht-2 'D' receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5-HT2A receptor 5-HT-2A 5-HT-2 Serotonin receptor 2A [ Show all ]
Disease	N/A for non-human GPCRs
Length	471
Amino acid sequence	MEILCEDNISLSSIPNSLMQLGDDSRLYPNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLSSFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPTLAYKSSQLQVGQKKNSQEDAEPTANDCSMVTLGNQHSEEMCTDNIETVNEKVSCV
UniProt	P35363
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5377
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
Molecular formula	C21H26FN3O2
IUPAC name	N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
Molecular weight	371.456
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	3-[4-(2-fluorophenyl)piperazino]-N-p-phenetyl-propionamide MCULE-9159247815 SR-01000595091-3 BDBM114618 N-(4-ethoxyphenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]propanamide cid_4226151 SR-01000595091 AC1N5XR7 MLS000521309 ZINC2939538 HMS2464F11 SR-01000595091-1 AKOS002132319 MolPort-007-953-084 CHEMBL1560475 SMR000131717 [ Show all ]
Inchi Key	BZQNGDFWFBIFAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26FN3O2/c1-2-27-18-9-7-17(8-10-18)23-21(26)11-12-24-13-15-25(16-14-24)20-6-4-3-5-19(20)22/h3-10H,2,11-16H2,1H3,(H,23,26)
PubChem CID	4226151
ChEMBL	CHEMBL1560475
IUPHAR	N/A
BindingDB	114618
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	92.48 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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