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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	CHEMBL134519
Molecular formula	C11H16INO2
IUPAC name	(2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	321.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	(R)-2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine CCG-204569 PDSP2_001372 D01TSX ZINC2516053 (-)-DOI (R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine BDBM50133231 NCGC00162167-01 (R)-DOI R-DOI 82864-06-0 GTPL157 (2R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine (R)-2-(4-Iodo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaR)- PDSP1_001388 SCHEMBL713061 AJ-36945 Lopac0_000478 (r)-1-(2,5-dimethoxy-4-iodophenyl)-2-aminopropane [ Show all ]
Inchi Key	BGMZUEKZENQUJY-SSDOTTSWSA-N
Inchi ID	InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
PubChem CID	9840090
ChEMBL	CHEMBL134519
IUPHAR	157
BindingDB	50133231
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	17.8 nM	PMID17419053	BindingDB,ChEMBL
EC50	19.8 nM	PMID16392816	ChEMBL
EC50	20.0 nM	PMID16392816	BindingDB
EC50	27.7 nM	PMID12954071	BindingDB,ChEMBL
Efficacy	17.8 nM	PMID12954071	ChEMBL
Efficacy	33.0 %	PMID12954071	ChEMBL
Efficacy	82.0 %	PMID12954071	ChEMBL
Emax	33.0 %	PMID17419053	ChEMBL
Emax	35.0 %	PMID16392816	ChEMBL
IC50	0.21 nM	PMID16392816	BindingDB
IC50	0.21 nM	PMID16392816	ChEMBL
IC50	0.4 nM	PMID12954071	BindingDB,ChEMBL
IC50	0.46 nM	PMID17419053	BindingDB,ChEMBL
Ki	0.1 nM	PMID12954071	BindingDB,ChEMBL

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