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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

Ligand

Name	1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
Molecular formula	C11H16INO2
IUPAC name	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	Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl- CTK8J8388 FT-0666888 NCGC00015302-03 RW3494 (+-)-DOI 2,5-Dimethoxy-4-iodoamphetamine 64584-34-5 AC1L1B0E C11H16INO2 DOI KB-214892 OOM10GW9UE [125I]2,5-dimethoxy-4-iodoamphetamine 1-(2,5-Dimethoxy-4-iodophenyl)-2-aminopropane 2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine AX8051181 DOI-P LS-176383 QC-2023 4-Iodo-2,5-dimethoxy-alpha-methylbenzeneethanamine BGMZUEKZENQUJY-UHFFFAOYSA- D07XTU GTPL147 NCGC00015302-04 SCHEMBL293580 2,5-dimethoxy-4-iodoamphetamine hydrochloride 82830-53-3 AC1Q1QZQ CCG-204558 DOI,(+) L000011 PDSP1_001383 [125I]4-iodo-2,5-dimethoxyphenylisopropylamine 1-(4-Iodo-2,5-dimethoxyphenyl)-2-aminopropane BDBM28582 CHEMBL6616 DTXSID7040520 MFCD05662244 Racemic DOI ( -)-DOI 2,5-dimethoxy 4-iodoamphetamine 4-Iodo-2,5-dimethoxyamphetamine BGMZUEKZENQUJY-UHFFFAOYSA-N DB-008006 InChI=1/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3 NCGC00162163-01 UNII-OOM10GW9UE 1-(2,5-dimethoxy-4-iodopheny)-2-aminopropane 2,5-Dimethoxy-4-iodophenylisopropylamine 9890AB AKOS015965128 CHEBI:64629 DOI,(-) Lopac0_000466 PDSP2_001367 4-DOI [ Show all ]
Inchi Key	BGMZUEKZENQUJY-UHFFFAOYSA-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
PubChem CID	1229
ChEMBL	CHEMBL6616
IUPHAR	147
BindingDB	28582
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	6.3 nM	PMID25583099	BindingDB
EC50	6.31 nM	PMID25583099	ChEMBL
Emax	87.0 %	PMID25583099	ChEMBL
Ki	0.46 nM	PMID9857084	BindingDB,ChEMBL
Ki	0.631 - 39.8 nM	PMID8534270, PMID2233697, PMID9933142	IUPHAR
Ki	0.645654 nM	PMID15322733	PDSP
Ki	0.65 nM	PMID8632342, PMID15322733, PMID12954071	PDSP,BindingDB
Ki	0.7 nM	PMID9933142	PDSP,BindingDB
Ki	0.89 nM	PMID10498829	BindingDB
Ki	0.891251 nM	PMID10498829	PDSP
Ki	0.92 nM	PMID18847250	BindingDB,ChEMBL
Ki	0.93 nM	PMID15322733	BindingDB
Ki	0.933254 nM	PMID15322733	PDSP
Ki	1.58 nM	PMID7984267	PDSP,BindingDB
Ki	3.1 nM	PMID10611640	PDSP,BindingDB
Ki	6.0 nM	Sadzot et al., PMID1989	PDSP
Ki	13.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	14.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	20.47 nM	Pierce & Peroutka, PMID1989	PDSP
Ki	28.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	29.0 nM	PMID18468904	BindingDB,ChEMBL
Ki	38.01 nM	PMID7984267	PDSP,BindingDB
Ki	52.0 nM	PMID10611640	PDSP,BindingDB

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