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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	SMR000060792
Molecular formula	C23H31N3O5S
IUPAC name	1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Molecular weight	461.577
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.7
Synonyms	1-[4-(morpholine-4-sulfonyl)phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol MCULE-2366770275 AC1MH9FZ MLS001074772 CHEMBL1338034 716375-88-1 MLS000054454 AKOS034456036 MolPort-004-247-304 1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol HMS2493A20 Z56798518 AB00425574-10 MLS000879846 NCGC00036795-02 [ Show all ]
Inchi Key	AZQAZYFKYDDSGJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H31N3O5S/c27-21(18-24-10-12-25(13-11-24)20-4-2-1-3-5-20)19-31-22-6-8-23(9-7-22)32(28,29)26-14-16-30-17-15-26/h1-9,21,27H,10-19H2
PubChem CID	2998389
ChEMBL	CHEMBL1338034
IUPHAR	N/A
BindingDB	N/A
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	481.01 nM	PubChem BioAssay data set	ChEMBL

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