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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	MLS001150220
Molecular formula	C16H18N4O3
IUPAC name	6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
Molecular weight	314.345
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.4
Synonyms	AKOS001167470 MolPort-003-280-863 CHEMBL1392809 6-[[4-(2-pyrimidyl)piperazino]methyl]sesamol MCULE-9037547191 BDBM66927 SMR000688762 6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol cid_7480032 AC1OMVCG ZINC21741648 6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol HMS2974E13 [ Show all ]
Inchi Key	ARCOXMPSRJYGRO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O3/c21-13-9-15-14(22-11-23-15)8-12(13)10-19-4-6-20(7-5-19)16-17-2-1-3-18-16/h1-3,8-9,21H,4-7,10-11H2
PubChem CID	7480032
ChEMBL	CHEMBL1392809
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	106.19 nM	PubChem BioAssay data set	ChEMBL

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