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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	MLS000092499
Molecular formula	C26H31FN4O2S
IUPAC name	2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide
Molecular weight	482.618
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AKOS001812933 MLS000877189 CHEMBL1503781 SR-01000619276 2-[(1-ethyl-2-keto-4-quinolyl)thio]-N-[3-[4-(2-fluorophenyl)piperazino]propyl]acetamide MCULE-2007505520 BDBM47101 MolPort-007-645-371 2-(1-ethyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]ethanamide cid_3242312 SR-01000619276-3 2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide AC1MMPB8 SMR000028049 2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide HMS2459O08 ZINC4056691 2-[(1-ethyl-2-oxo-4-quinolinyl)thio]-N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]acetamide [ Show all ]
Inchi Key	AUNYTVRZCBFVRC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)
PubChem CID	3242312
ChEMBL	CHEMBL1503781
IUPHAR	N/A
BindingDB	47101
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	16.85 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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