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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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	CHEMBL137485
Molecular formula	C15H20N2O
IUPAC name	5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Molecular weight	244.338
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.9
Synonyms	(R)-5-Methoxy-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole SCHEMBL5819875 BDBM50081704 CP-108509 5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole ZINC3779247 (r)-(+)-3-(N-methylpyrrolidin-2-ylmethyl)-5-methoxyindole MKEGUJPBCIXABO-GFCCVEGCSA-N [ Show all ]
Inchi Key	MKEGUJPBCIXABO-GFCCVEGCSA-N
Inchi ID	InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
PubChem CID	9881324
ChEMBL	CHEMBL137485
IUPHAR	N/A
BindingDB	50081704
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
K0.5	9.5 nM	PMID10514296	ChEMBL
Ki	400.0 nM	PMID10514296	BindingDB,ChEMBL

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