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GLASS

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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	N,N-DIMETHYLTRYPTAMINE
Molecular formula	C12H16N2
IUPAC name	2-(1H-indol-3-yl)-N,N-dimethylethanamine
Molecular weight	188.274
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.5
Synonyms	[2-(1H-indol-3-yl)ethyl]dimethylamine 1H-Indole-3-ethanamine, N,N-dimethyl- (9CI) 2-(1H-indol-3-yl)-N,N-dimethylethylamine BRN 0138259 EINECS 200-508-4 Indole, 3-[2-(dimethylamino)ethyl]- N,N-Dimethyl-1H-indole-3-ethylamine NSC63795 2-(1H-indol-3-yl)-ethyl-dimethyl-amine 3-(2-DIMETHYLAMINOETHYL) INDOLE AC1L1LS3 DIMETHYLTRYPTAMINE GTPL141 LS-82930 N,N-Dimethyltryptamine, >=97% (HPLC) UNII-WUB601BHAA (psychogenic) 2-(1H-Indol-3-yl)-N,N-dimethylethanamine # 3-[2- (dimethylamino)ethyl]-Indole AS-47089 D-5500 DMULVCHRPCFFGV-UHFFFAOYSA-N Indolalkylamine der N,N-dimethyl-1H-Indole-3-ethanamine NSC 63795 ZINC897457 1H-INDOLE-3-ETHANAMINE,N,N-DIMETHYL 2-(3-Indolyl)ethyldimethylamine 61-50-7 C08302 DB01488 FCH838678 KB-296215 SCHEMBL335710 2-(1H-INDOL-3-YL)-N,N-DIMETHYL-ETHANAMINE 3-(2-Dimethylaminoethyl)indole AKOS005446117 CHEMBL12420 Dimethyltryptamine(DMT) HSDB 8017 MB00483 N,N-Dimethyltryptamine, free base WLN: T56 BMJ D2N1&1 1H-Indole-3-ethanamine, N,N-dimethyl- 2-(1H-indol-3-yl)-N,N-dimethylethanamine (ACD/Name 4.0) 3-[2-(dimethylamino)ethyl]indole BDBM50026868 D0K1QS DTXSID60110053 Indole, 3-(2-(dimethylamino)ethyl)- N,N-dimethyl-1H-Indole-3-ethanamine (9CI) NSC-63795 [2-(1H-INDOL-3-YL)-ETHYL]-DIMETHYL-AMINE 1H-Indole-3-ethanamine,N,N-dimethyl- 3-(2-(dimethylamino)ethyl)-Indole 68677-25-8 CHEBI:28969 DEA No. 7435 FT-0667348 L001288 N,N-Dimethyltryptamine (DMT) solution, 1.0 mg/mL in methanol, certified reference material STK370594 (2-Indol-3-ylethyl)dimethylamine 061D507 2-(1H-Indol-3-yl)-N,N-dimethylethanamine 3-(dimethylaminoethyl)-indole AN-41827 CTK5B3344 DMT (psychogenic) InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H MFCD00055989 N-(2-(1H-indol-3-yl)ethyl)-N,N-dimethylamine (ACD/Name 4.0) WUB601BHAA [ Show all ]
Inchi Key	DMULVCHRPCFFGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
PubChem CID	6089
ChEMBL	CHEMBL12420
IUPHAR	141
BindingDB	50026868
DrugBank	DB01488
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	65.0 nM	PMID10090793	BindingDB,ChEMBL
Ki	230.27 nM	Pierce & Peroutka, PMID1989	PDSP
Ki	462.0 nM	Sadzot et al., PMID1989	PDSP

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