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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	methyl 1-[3-(4-{[4-(4-nitrophenyl)piperazino]methyl}phenoxy)propyl]-4-piperidinecarboxylate
Molecular formula	C27H36N4O5
IUPAC name	methyl 1-[3-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenoxy]propyl]piperidine-4-carboxylate
Molecular weight	496.608
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.9
Synonyms	MCULE-3531301214 Methyl 1-[3-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenoxy]propyl]piperidine-4-carboxylate AC1MCCL8 CHEMBL1373728 SMR000336851 methyl 1-[3-(4-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenoxy)propyl]piperidine-4-carboxylate 10X-0986 MLS000763505 AKOS005076817 KS-00002YO8 ZINC8762113 860649-27-0 MolPort-001-685-363 [ Show all ]
Inchi Key	JDFGIAMGXCGAPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H36N4O5/c1-35-27(32)23-11-14-28(15-12-23)13-2-20-36-26-9-3-22(4-10-26)21-29-16-18-30(19-17-29)24-5-7-25(8-6-24)31(33)34/h3-10,23H,2,11-21H2,1H3
PubChem CID	2766354
ChEMBL	CHEMBL1373728
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	570.24 nM	PubChem BioAssay data set	ChEMBL

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