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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	Sus scrofa (Pig)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A 5-HT2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDVLCEENTSLSSPTNSFMQLNDDTRLYHNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHRRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQTGQKENSKQDDKATENDCTMVALGKQHSEDAPADNSNTVNEKVSCV
UniProt	P50129
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	CHEMBL2490
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2207643
Molecular formula	C22H24N2O
IUPAC name	1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine
Molecular weight	332.447
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.3
Synonyms	BDBM50401953 ZINC54960009 fauc-3019 1-[4-(azulenylmethyl)piperazinyl]-2-methoxybenzene AC1MVZR6 SBB056630 1-(1-azulenylmethyl)-4-(2-methoxyphenyl)piperazine KB-272557 387360-48-7 AKOS024327376 ST50451974 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine MCULE-8261633067 [ Show all ]
Inchi Key	MNVDCQLMHFFYCU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
PubChem CID	3716121
ChEMBL	CHEMBL2207643
IUPHAR	N/A
BindingDB	50401953
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	92.0 nM	PMID23099096	BindingDB,ChEMBL

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