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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	MLS000093376
Molecular formula	C19H29N3O3
IUPAC name	N-[3-[butyl(ethyl)amino]propyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
Molecular weight	347.459
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.2
Synonyms	AC1MMUIF SMR000028994 CHEMBL1432055 N-[3-[butyl(ethyl)amino]propyl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide AKOS001848824 HMS2455G21 N-{3-[butyl(ethyl)amino]propyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide [ Show all ]
Inchi Key	IYBVMICTDCGOGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H29N3O3/c1-3-5-12-22(4-2)13-8-11-20-18(23)14-17-19(24)21-15-9-6-7-10-16(15)25-17/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3,(H,20,23)(H,21,24)
PubChem CID	3244629
ChEMBL	CHEMBL1432055
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	3303.0 nM	PubChem BioAssay data set	ChEMBL

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