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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	4365 CT
Molecular formula	C14H20N2O
IUPAC name	2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	232.327
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.7
Synonyms	2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine AC1Q56LA Methyl-2-methoxy-5-N-dimethyltryptamine [2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine (C2H2O) 5-Methoxy-2,N,N-trimethyltryptamine SCHEMBL5766124 67292-68-6 INDOLE, 3-(2-(DIMETHYLAMINO)ETHYL)-5-METHOXY-2-METHYL- ZINC1996368 4-22-00-05694 (Beilstein Handbook Reference) BDBM50085972 PDSP1_001416 [2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-ammonium 5-methoxy-2-methyl-n,n-dimethyltryptamine CHEMBL7143 UNII-XZ2CCP18I2 2,N,N-Trimethyl-5-methoxy-1H-indole-3-ethanamine AC1L2MB5 LS-82938 [2-(5-Methoxy-2-methyl-1H-indol-3-yl)-ethyl]-dimethyl-amine BRN 0179917 PDSP2_001400 DTXSID10217627 XZ2CCP18I2 [ Show all ]
Inchi Key	ACEHBQPPDDGCGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H20N2O/c1-10-12(7-8-16(2)3)13-9-11(17-4)5-6-14(13)15-10/h5-6,9,15H,7-8H2,1-4H3
PubChem CID	49756
ChEMBL	CHEMBL7143
IUPHAR	N/A
BindingDB	50085972
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	<10000.0 nM	PMID10715164	BindingDB,ChEMBL

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