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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	Racemic DOTFM
Molecular formula	C12H16F3NO2
IUPAC name	1-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
Molecular weight	263.26
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.8
Synonyms	2-(2,5-Dimethoxy-4-trifluoromethyl-phenyl)-1-methyl-ethylamine 159277-07-3 DOTFM SCHEMBL14655679 CHEMBL6620 2,5-dimethoxy-4-trifluoromethylamphetamine DTXSID40439330 BDBM50038370 D08VLD [ Show all ]
Inchi Key	WPGOTSORDNBMHP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16F3NO2/c1-7(16)4-8-5-11(18-3)9(12(13,14)15)6-10(8)17-2/h5-7H,4,16H2,1-3H3
PubChem CID	10400521
ChEMBL	CHEMBL6620
IUPHAR	N/A
BindingDB	50038370
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	68.4 nM	PMID11300881	BindingDB,ChEMBL
Ki	2.2 nM	PMID11300881	BindingDB,ChEMBL
Ki	33.0 nM	PMID18296055	BindingDB,ChEMBL
Max stimulation	86.0 %	PMID11300881	ChEMBL

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