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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	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	CHEMBL211309
Molecular formula	C13H19NO3
IUPAC name	(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methanamine
Molecular weight	237.299
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.3
Synonyms	1-(4,5,6-Trimethoxy-2,3-dihydro-1H-inden-1-yl)methanamine CTK2I1401 890309-51-0 1H-Indene-1-methanamine, 2,3-dihydro-4,5,6-trimethoxy- DTXSID10658793 AKOS022363895 (+/-)-(2,3-dihydro-4,5,6-trimethoxy-1H-inden-1-yl)aminomethane BDBM50190613 [ Show all ]
Inchi Key	AFTIZGHFDCOQFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H19NO3/c1-15-11-6-10-8(7-14)4-5-9(10)12(16-2)13(11)17-3/h6,8H,4-5,7,14H2,1-3H3
PubChem CID	44413589
ChEMBL	CHEMBL211309
IUPHAR	N/A
BindingDB	50190613
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	83.0 %	PMID16821786	ChEMBL
EC50	6100.0 nM	PMID16821786	BindingDB,ChEMBL
Ki	130.0 nM	PMID16821786	BindingDB,ChEMBL

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