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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	SMR000060790
Molecular formula	C23H30ClN3O5S
IUPAC name	1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol
Molecular weight	496.019
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.3
Synonyms	AKOS034456025 REGID_for_CID_2998739 HMS2476P05 716375-58-5 MLS000879925 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenoxy)propan-2-ol MCULE-1013665136 AC1MHA8E MolPort-004-247-293 CHEMBL1365201 Z56798473 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-[4-(morpholine-4-sulfonyl)phenoxy]propan-2-ol MLS000054452 [ Show all ]
Inchi Key	HFTBUYNKBZOJMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30ClN3O5S/c24-22-3-1-2-4-23(22)26-11-9-25(10-12-26)17-19(28)18-32-20-5-7-21(8-6-20)33(29,30)27-13-15-31-16-14-27/h1-8,19,28H,9-18H2
PubChem CID	2998739
ChEMBL	CHEMBL1365201
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	25363.0 nM	PubChem BioAssay data set	ChEMBL

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