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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	Rattus norvegicus (Rat)
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	MEILCEDNISLSSIPNSLMQLGDGPRLYHNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAIWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPALAYKSSQLQVGQKKNSQEDAEQTVDDCSMVTLGKQQSEENCTDNIETVNEKVSCV
UniProt	P14842
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	CHEMBL322
IUPHAR	6
DrugBank	N/A

Ligand

Name	CHEMBL76237
Molecular formula	C19H22N2O3S
IUPAC name	2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine
Molecular weight	358.456
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.5
Synonyms	PDSP1_000372 BDBM34141 PDSP2_000371 2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N,N-dimethylethanamine KB-78965 N,N-Dimethyl-1-(phenylsulfonyl)-5-methoxy-1H-indole-3-ethanamine PDSP1_000373 SCHEMBL5499070 2-[5-methoxy-1-(phenylsulfonyl)-1h-indol-3-yl]-N,N-dimethylethanamine MS-245 NCGC00371046-02 AC1OCFKC PDSP2_000370 MS245 ZINC13553349 263384-65-2 [ Show all ]
Inchi Key	AIJIQCBYMBZLJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
PubChem CID	6918542
ChEMBL	CHEMBL76237
IUPHAR	N/A
BindingDB	34141
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	65.0 nM	PMID11689074	BindingDB,ChEMBL
Ki	130.0 nM	PMID11055342	BindingDB,ChEMBL

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