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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	Brolamfetamine
Molecular formula	C11H16BrNO2
IUPAC name	1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	274.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	DOB LS-174368 [3H](+)DOB (-)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2,5-Dimethoxy-(4-bromo)phenylisopropylamine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine(DOB) 4-DOB Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl- Brolanfetamina CHEMBL6607 FT-0666882 PDSP1_001355 (+-)-1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane 1-(2,5-Dimethoxyphenyl-4-bromo)-2-aminopropane 2,5-dimethoxy-4-bromoamphetamine, monohydrobromide, (S)-isomer 4-Bromo-2,5-dimethoxy-alpha-methylbenzeneethanamine 67WJC4Y2QY DEA No. 7391 GTPL163 SCHEMBL714339 (+-)2,5-Dimethoxy-4-bromoamphetamine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((R)-(-)-DOB) 4-Bromo-2,5-dimethoxyphenylisopropylamine ACM32156266 Brolamfetaminum DOB-4 NCGC00168267-01 (+)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine (-)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2,5-DIMETHOXY-4-BROMAMPHETAMIN 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine[R(-)DOB] Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, (+-)- Brolanfetamina [Spanish] D00WEQ FXMWUTGUCAKGQL-UHFFFAOYSA-N PDSP2_001339 (+-)-2,5-Dimethoxy-4-bromoamphetamine 1-(4-Bromo-2,5-dimethoxyphenyl)-2-aminopropane 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 4-Bromo-2,5-dimethoxy-amphetamine AC1L1WEM Brolamfetamine [INN] dl-2,5-Dimethoxy-4-bromoamphetamine L000010 UNII-67WJC4Y2QY (+/-)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((S)-(+)-DOB) 4-Bromo-DMA BDBM50005257 Brolamfetaminum [Latin] DTXSID5050428 NCGC00168267-02 (+)2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine 2,5-Dimethoxy-4-bromoamphetamine 32156-26-6 64638-07-9 Benzeneethanamine,4-bromo-2,5-dimethoxy-.alpha.-methyl-(.+/-.)- DB01484 GTPL155 Racemic DOB (+-)-4-Bromo-2,5-dimethoxy-alpha-methylphenethylamine 1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine 2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine((-)-DOB) 4-Bromo-2,5-dimethoxyamphetamine AC1Q25W8 brolamfetamine[inn] [ Show all ]
Inchi Key	FXMWUTGUCAKGQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
PubChem CID	62065
ChEMBL	CHEMBL6607
IUPHAR	155, 163
BindingDB	50005257
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	22.0 nM	PMID18467103	BindingDB,ChEMBL
EC50	60.0 nM	PMID15537358	BindingDB,ChEMBL
EC50	72.0 nM	PMID12877591, PMID11300881	BindingDB,ChEMBL
Efficacy	38.0 %	PMID15537358	ChEMBL
Intrinsic activity	73.0 %	PMID18467103	ChEMBL
Ki	0.1 nM	PMID15537358	BindingDB,ChEMBL
Ki	1.0 nM	PMID7984267	BindingDB
Ki	2.2 nM	PMID12877591, PMID11300881	BindingDB,ChEMBL
Ki	13.0 nM	PMID18467103	BindingDB,ChEMBL
Ki	15.8489 nM	PMID9655845	IUPHAR
Ki	22.0 nM	PMID18296055, PMID8709129	BindingDB,ChEMBL
Ki	32.0 nM	PMID10956215, PMID11563927	BindingDB,ChEMBL
Ki	41.0 nM	PMID12852967	BindingDB,ChEMBL
Ki	85.11 nM	PMID7984267	BindingDB
Max stimulation	79.0 %	PMID11300881	ChEMBL

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