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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	CHEMBL42061
Molecular formula	C17H18N4O2
IUPAC name	4-(furan-2-yl)-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
Molecular weight	310.357
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.0
Synonyms	4-Furan-2-yl-6-furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine 171115-29-0 DTXSID90440133 2-(4-Methylpiperazin-1-yl)-4-(2-furanyl)-6-(3-furanyl)pyrimidine Pyrimidine, 4-(2-furanyl)-6-(3-furanyl)-2-(4-methyl-1-piperazinyl)- BDBM50289605 CTK0A8077 [ Show all ]
Inchi Key	AKMGJJTVIPHEOZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N4O2/c1-20-5-7-21(8-6-20)17-18-14(13-4-10-22-12-13)11-15(19-17)16-3-2-9-23-16/h2-4,9-12H,5-8H2,1H3
PubChem CID	10448104
ChEMBL	CHEMBL42061
IUPHAR	N/A
BindingDB	50289605
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	12.88 nM	PMID10821703	ChEMBL
Ki	13.0 nM	, Bioorg. Med. Chem. Lett., (1997) 7:13:1635	BindingDB,ChEMBL

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