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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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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	1-(ethylsulfonyl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}piperidine-4-carboxamide
Molecular formula	C21H33FN4O3S
IUPAC name	1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide
Molecular weight	440.578
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	CHEMBL1741473 MolPort-007-935-952 AB00405859-09 HMS2473K08 BRD-K56887980-001-01-0 MLS000096290 ChemDiv3_013652 SMR000032239 AC1MMIKT IDI1_029802 MLS001389296 1-ethylsulfonyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]piperidine-4-carboxamide HMS1511M12 ZINC4057184 AKOS002124768 MCULE-4014727138 [ Show all ]
Inchi Key	HELQBULJEYEPSM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H33FN4O3S/c1-2-30(28,29)26-12-8-18(9-13-26)21(27)23-10-5-11-24-14-16-25(17-15-24)20-7-4-3-6-19(20)22/h3-4,6-7,18H,2,5,8-17H2,1H3,(H,23,27)
PubChem CID	3239323
ChEMBL	CHEMBL1741473
IUPHAR	N/A
BindingDB	N/A
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	76091.0 nM	PubChem BioAssay data set	ChEMBL

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