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GLASS

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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	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	MB00483 N,N-Dimethyltryptamine, free base WLN: T56 BMJ D2N1&1 2-(1H-INDOL-3-YL)-N,N-DIMETHYL-ETHANAMINE 3-(2-Dimethylaminoethyl)indole AKOS005446117 CHEMBL12420 Dimethyltryptamine(DMT) HSDB 8017 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- 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-Dimethyltryptamine (DMT) solution, 1.0 mg/mL in methanol, certified reference material STK370594 (2-Indol-3-ylethyl)dimethylamine 1H-Indole-3-ethanamine,N,N-dimethyl- 3-(2-(dimethylamino)ethyl)-Indole 68677-25-8 CHEBI:28969 DEA No. 7435 FT-0667348 L001288 MFCD00055989 N-(2-(1H-indol-3-yl)ethyl)-N,N-dimethylamine (ACD/Name 4.0) WUB601BHAA 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 N,N-Dimethyl-1H-indole-3-ethylamine NSC63795 [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]- LS-82930 N,N-Dimethyltryptamine, >=97% (HPLC) UNII-WUB601BHAA (psychogenic) 2-(1H-indol-3-yl)-ethyl-dimethyl-amine 3-(2-DIMETHYLAMINOETHYL) INDOLE AC1L1LS3 DIMETHYLTRYPTAMINE GTPL141 N,N-dimethyl-1H-Indole-3-ethanamine NSC 63795 ZINC897457 2-(1H-Indol-3-yl)-N,N-dimethylethanamine # 3-[2- (dimethylamino)ethyl]-Indole AS-47089 D-5500 DMULVCHRPCFFGV-UHFFFAOYSA-N Indolalkylamine der SCHEMBL335710 1H-INDOLE-3-ETHANAMINE,N,N-DIMETHYL 2-(3-Indolyl)ethyldimethylamine 61-50-7 C08302 DB01488 FCH838678 KB-296215 [ 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
ED50	3.24 mg.kg-1	PMID10090793	ChEMBL
ED50	10.6 umol.kg-1	PMID10090793	ChEMBL
Ki	42.0 nM	PMID2795135	BindingDB
Ki	1636.0 nM	PMID18296055	BindingDB,ChEMBL

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