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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	MLS000105277
Molecular formula	C17H22N4O2
IUPAC name	2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
Molecular weight	314.389
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.9
Synonyms	SMR000102158 HMS2426M23 ZINC19536698 2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine BDBM38696 Oprea1_183822 CHEMBL1406964 SR-01000625602 2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine Cambridge id 5262276 REGID_for_CID_199200 cid_199200 SR-01000625602-2 2-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazinyl]pyrimidine MolPort-003-180-334 AC1L56WG [ Show all ]
Inchi Key	CDJMANXRRPUKJG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22N4O2/c1-22-15-5-4-14(16(12-15)23-2)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3
PubChem CID	199200
ChEMBL	CHEMBL1406964
IUPHAR	N/A
BindingDB	38696
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	321.81 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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