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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-Methyltryptamine
Molecular formula	C11H14N2
IUPAC name	2-(1H-indol-3-yl)-N-methylethanamine
Molecular weight	174.247
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	2.1
Synonyms	Dipterine Hydrochloride HMS3372P09 MCULE-1530991027 N-Methylindoleethylamine N-omega-Methyltryptamine, free base 1H-Indole-3-ethanamine, N-methyl- NCGC00018120-03 3-(2-(Methylamino)ethyl)indole ST24039082 5-22-10-00047 (Beilstein Handbook Reference) AKOS005203036 CCG-56495 CHEMBL348588 EINECS 200-507-9 InChI=1/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H MolPort-001-784-409 N-Monomethyltryptamine N10-Methyltryptamine 2-(1H-indol-3-yl)-N-methyl-ethanamine N\|O-Methyltryptamine Hydrochloride 3-(2-Methylaminoethyl)indole Hydrochloride VI30185 9227AB BC220665 DB-053906 HMS1440G10 LS-83251 N-Methyl-1H-indole-3-ethanamine Hydrochloride N-Omega-Methyltryptamine(NMT) 061M494 NCGC00018120-01 2-(1H-indol-3-yl)ethyl-methyl-amine SMR000059062 [2-(1H-Indol-3-yl)ethyl]methylamine AC1L1LS0 BRN 0134134 dl-Methyltryptamine I05-3075 Methyltryptamine N-\|O-Methyltryptamine 1HU NCIKQJBVUNUXLW-UHFFFAOYSA-N 3-(2-methylaminoethyl)-indole ST50307997 61-49-4 AM20040845 CHEBI:28136 cid_6088 F1909-1620 INDOLE, 3-(2-(METHYLAMINO)ETHYL)- N(omega)-methyltryptamine N-Monomethyltryptamine Hydrochloride N10-Methyltryptamine Hydrochloride 2-(1H-Indol-3-yl)-N-methylethanamine Oprea1_433490 3-(2-[Methylamino]ethyl)indole ZINC1995685 942-27-8 BDBM30701 Dipterine HMS2235A08 Maybridge3_003310 N-methyl-tryptamine N-omega-Methyltryptamine, 99% 1-Methyl-2-(3-indolyl)ethylamine NCGC00018120-02 2-(Indol-3-yl)-N-methylethanamine SR-01000000029-2 4CH-024507 [2-(1H-Indol-3-yl)ethyl]methylamine Hydrochloride AJ-32297 C06213 DTXSID70209846 IDI1_014697 MLS000069493 N-Methyltryptamine Hydrochloride N.omega.-methyltryptamine 2-(1H-indol-3-yl)-ethyl-methyl-amine Nw-Methyltryptamine 3-(2-Methylaminoethyl)indole UNII-6FRL4L3Z7V 6FRL4L3Z7V AN-41826 CTK6I5578 FT-0631273 KB-26663 N-methyl-1H-indole-3-ethanamine N-OMEGA-METHYLTRYPTAMINE (2-Indol-3-ylethyl)methylamine Nb-Methyltryptamine Hydrochloride 2-(1H-Indol-3-yl)-N-methylethanamine Hydrochloride SCHEMBL379409 3-(N-Methyl-2-amino-ethyl)-indole [2-(1H-indol-3-yl)ethyl](methyl)amine 942-27-8 (hydrochloride) BIDD:GT0662 [ Show all ]
Inchi Key	NCIKQJBVUNUXLW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
PubChem CID	6088
ChEMBL	CHEMBL348588
IUPHAR	N/A
BindingDB	30701
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	50.7 nM	PMID25193229	ChEMBL
EC50	51.0 nM	PMID25193229	BindingDB
Emax	96.0 %	PMID25193229	ChEMBL

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