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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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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	NCGC00036795-02 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 [ 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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