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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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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	ISOLOXAPINE
Molecular formula	C18H18ClN3O
IUPAC name	3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Molecular weight	327.812
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.1
Synonyms	D0Q2GP 8-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine SCHEMBL2738975 8-Chloro-11-(4-methyl-piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine AWHNHDGHHNGACT-UHFFFAOYSA-N 3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine CHEMBL7828 8-Chloro-11-(4-methyl-piperazin-1-yl)dibenzo[b,f][1,4]oxazepine LS-61561 BDBM50028980 [ Show all ]
Inchi Key	AWHNHDGHHNGACT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-7-6-13(19)12-15(17)20-18/h2-7,12H,8-11H2,1H3
PubChem CID	10381810
ChEMBL	CHEMBL7828
IUPHAR	N/A
BindingDB	50028980
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	11.0 nM	PMID8064797	BindingDB,ChEMBL

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