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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
Molecular formula	C16H19BrN4O2
IUPAC name	4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
Molecular weight	379.258
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	AC1LQHOW Oprea1_093432 CHEMBL1338732 SR-01000208636-1 4-bromo-2-methoxy-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}phenol MLS001001135 BDBM114628 SMR000496336 4-bromo-2-methoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol cid_1376210 SR-01000208636-3 AB00084780-01 MolPort-002-149-276 4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol SR-01000208636 4-bromo-2-methoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenol HMS2839H08 [ Show all ]
Inchi Key	BOYYZPFWQQQUAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19BrN4O2/c1-23-14-10-13(17)9-12(15(14)22)11-20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8,11H2,1H3
PubChem CID	1376210
ChEMBL	CHEMBL1338732
IUPHAR	N/A
BindingDB	114628
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	1017.0 nM	PubChem BioAssay data set	ChEMBL
EC50	76083.0 nM	N/A	BindingDB

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