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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	AC1N9R7M
Molecular formula	C22H31N5O3S
IUPAC name	N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
Molecular weight	445.582
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.3
Synonyms	MCULE-5602582059 Z30996409 N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide CHEMBL1458139 SR-01000723474 MLS001002420 ZINC12528995 746618-44-0 N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide AKOS034149618 HMS2696K10 SR-01000723474-2 MolPort-004-271-369 AB00591232-02 SMR000368953 [ Show all ]
Inchi Key	FZHCFMLCAKHYAE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N5O3S/c1-4-27(5-2)31(29,30)20-16-19(10-9-18(20)3)24-22(28)17-25-12-14-26(15-13-25)21-8-6-7-11-23-21/h6-11,16H,4-5,12-15,17H2,1-3H3,(H,24,28)
PubChem CID	4365190
ChEMBL	CHEMBL1458139
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	761.09 nM	PubChem BioAssay data set	ChEMBL

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