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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	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	2-[4-[(2,4-dimethoxyphenyl)methyl]-1-piperazinyl]pyrimidine cid_199200 SR-01000625602-2 AC1L56WG MolPort-003-180-334 SMR000102158 2-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine HMS2426M23 ZINC19536698 BDBM38696 Oprea1_183822 2-[4-(2,4-dimethoxybenzyl)piperazino]pyrimidine CHEMBL1406964 SR-01000625602 Cambridge id 5262276 REGID_for_CID_199200 [ 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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