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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	SR-01000181557
Molecular formula	C22H35N3O4
IUPAC name	ethyl 4-[[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-1-carboxylate
Molecular weight	405.539
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.0
Synonyms	ethyl 4-[[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine-1-carboxylate BDBM114621 HMS2835M14 cid_23723421 MolPort-005-158-431 4-[4-(2-hydroxy-3-piperidino-propoxy)benzyl]piperazine-1-carboxylic acid ethyl ester ethyl 4-[[4-(2-oxidanyl-3-piperidin-1-yl-propoxy)phenyl]methyl]piperazine-1-carboxylate SR-01000181557-1 MCULE-9212712492 ethyl 4-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)benzyl]piperazine-1-carboxylate SMR000499474 4-[[4-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester ethyl 4-{4-[2-hydroxy-3-(1-piperidinyl)propoxy]benzyl}-1-piperazinecarboxylate SR-01000181557-3 CHEMBL1313562 MLS001008223 [ Show all ]
Inchi Key	GHTYYFHWUZRTGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H35N3O4/c1-2-28-22(27)25-14-12-24(13-15-25)16-19-6-8-21(9-7-19)29-18-20(26)17-23-10-4-3-5-11-23/h6-9,20,26H,2-5,10-18H2,1H3
PubChem CID	23723421
ChEMBL	CHEMBL1313562
IUPHAR	N/A
BindingDB	114621
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	2225.0 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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