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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.
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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	Flufylline
Molecular formula	C21H24FN5O3
IUPAC name	7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
Molecular weight	413.453
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.5
Synonyms	DTXSID60231611 LS-149562 Sgd-19578 1H-Purine-2,6-dione,7-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-3,7-dihydro-1,3-dimethyl- AC1Q4NID Flufyllin PDSP1_000838 ZINC537738 7-(2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # CHEMBL2106778 Flufyllinum SCHEMBL684324 1,3-Dimethylxanthine, 7-[4[2-(4-fluorobenzoyl)piperidin-1-yl]ethyl]- 82190-91-8 Flufilina NSC_71255 Theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)- 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione BDBM81981 PDSP2_000825 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione CTK5E9479 Flufyllinum [Latin] Sgd 195 78 1H-Purine-2,6-dione, 7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl- AC1L2FUB Flufilina [Spanish] O8G173034U UNII-O8G173034U 7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline CAS_82190-91-8 Flufylline [INN] PMEYQPKJAPXGPS-UHFFFAOYSA-N [ Show all ]
Inchi Key	PMEYQPKJAPXGPS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3
PubChem CID	71255
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81981
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	4.5 nM	PMID2877462	BindingDB

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