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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MCULE-8261633067 BDBM50401953 ZINC54960009 1-[4-(azulenylmethyl)piperazinyl]-2-methoxybenzene fauc-3019 AC1MVZR6 SBB056630 1-(1-azulenylmethyl)-4-(2-methoxyphenyl)piperazine 387360-48-7 KB-272557 AKOS024327376 ST50451974 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine [ 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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