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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	MLS000674842
Molecular formula	C19H24Cl2N2O
IUPAC name	(4-benzylpiperazin-1-yl)-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone
Molecular weight	367.314
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.0
Synonyms	(4-benzylpiperazin-1-yl)[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone AKOS016067901 MolPort-000-209-158 [3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]-[4-(phenylmethyl)-1-piperazinyl]methanone 1-benzyl-4-{[3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropyl]carbonyl}piperazine CHEMBL1572258 SR-01000259344 AC1MGHHI MCULE-1049842875 STK880604 (4-benzylpiperazino)-[3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropyl]methanone BDBM114614 Opera_ID_1567 [3-[2,2-bis(chloranyl)ethenyl]-2,2-dimethyl-cyclopropyl]-[4-(phenylmethyl)piperazin-1-yl]methanone cid_2935972 SR-01000259344-1 (4-benzylpiperazin-1-yl)-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]methanone AKOS002194825 Z57782389 1-benzyl-4-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]piperazine SMR000291884 617694-01-6 HMS2705D17 SR-01000259344-3 [ Show all ]
Inchi Key	JSUMINOYTNFNDX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24Cl2N2O/c1-19(2)15(12-16(20)21)17(19)18(24)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7,12,15,17H,8-11,13H2,1-2H3
PubChem CID	2935972
ChEMBL	CHEMBL1572258
IUPHAR	N/A
BindingDB	114614
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	1212.0 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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