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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	1-Isopropyltryptamine
Molecular formula	C13H18N2
IUPAC name	2-(1-propan-2-ylindol-3-yl)ethanamine
Molecular weight	202.301
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.0
Synonyms	40619-60-1 MolPort-001-788-641 AKOS000276209 SCHEMBL7749047 2-[1-(methylethyl)indol-3-yl]ethylamine GTPL159 N-1-isopropyltryptamine BDBM84943 STK075425 2-[1-(propan-2-yl)-1H-indol-3-yl]ethanamine MCULE-5027387412 AC1NOM56 SBB081239 2-(1-propan-2-ylindol-3-yl)ethanamine D0ZF1W ZINC4600317 [ Show all ]
Inchi Key	ARHHZLRATAUACE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H18N2/c1-10(2)15-9-11(7-8-14)12-5-3-4-6-13(12)15/h3-6,9-10H,7-8,14H2,1-2H3
PubChem CID	5115445
ChEMBL	N/A
IUPHAR	159
BindingDB	84943
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	79.4328 nM	PMID8114677	IUPHAR
Ki	3858.0 nM	PMID8510008	BindingDB

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