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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	Mus musculus (Mouse)
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	MEILCEDNISLSSIPNSLMQLGDDSRLYPNDFNSRDANTSEASNWTIDAENRTNLSCEGYLPPTCLSILHLQEKNWSALLTTVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVAFFIPLTIMVITYFLTIKSLQKEATLCVSDLSTRAKLSSFSFLPQSSLSSEKLFQRSIHREPGSYAGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNENVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENRKPLQLILVNTIPTLAYKSSQLQVGQKKNSQEDAEPTANDCSMVTLGNQHSEEMCTDNIETVNEKVSCV
UniProt	P35363
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	CHEMBL5377
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS000108391
Molecular formula	C19H24N2O4
IUPAC name	[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
Molecular weight	344.411
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.4
Synonyms	4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazinyl 2-furyl ketone HMS2160J04 SR-01000475752 [4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone BAS 03050295 STK232559 CHEMBL1607440 Oprea1_431499 [4-(3-ethoxy-4-methoxy-benzyl)piperazino]-(2-furyl)methanone AC1LG1AF HMS3312C01 SR-01000475752-3 [4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]-(2-furanyl)methanone BDBM38788 MolPort-001-987-620 ZINC19789260 cid_787169 SMR000104349 [4-(3-ethoxy-4-methoxybenzyl)piperazin-1-yl](furan-2-yl)methanone AKOS000548343 MCULE-8138248565 ST50015444 [4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone Oprea1_358989 [4-(3-Ethoxy-4-methoxy-benzyl)-piperazin-1-yl]-furan-2-yl-methanone [ Show all ]
Inchi Key	JATMPZCAMODSSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O4/c1-3-24-18-13-15(6-7-16(18)23-2)14-20-8-10-21(11-9-20)19(22)17-5-4-12-25-17/h4-7,12-13H,3,8-11,14H2,1-2H3
PubChem CID	787169
ChEMBL	CHEMBL1607440
IUPHAR	N/A
BindingDB	38788
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	5884.0 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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