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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	SMR000047376
Molecular formula	C19H21ClN8
IUPAC name	2-N-(4-chlorophenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
Molecular weight	396.883
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.9
Synonyms	BDBM48928 MolPort-000-488-964 STK589571 cid_666078 N2-(4-chlorophenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine {4-amino-6-[(4-(2-pyridyl)piperazinyl)methyl](1,3,5-triazin-2-yl)}(4-chlorophe nyl)amine AKOS002211204 MLS000084243 ST50133329 MolPort-000-806-157 ZINC95483251 (4E)-4-[(4-chlorophenyl)imino]-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5-dihydro-1,3,5-triazin-2-amine HMS2360A24 N2-(4-chlorophenyl)-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine 827002-46-0 AKOS005512111 MLS002584691 STK203210 CHEMBL1600031 N-(4-chlorophenyl)-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine [4-amino-6-[[4-(2-pyridyl)piperazino]methyl]-s-triazin-2-yl]-(4-chlorophenyl)amine 2-N-(4-chlorophenyl)-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,5-triazine-2,4-diamine MCULE-2019357256 AC1LDF7E [ Show all ]
Inchi Key	JBQYOMAORVUETK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN8/c20-14-4-6-15(7-5-14)23-19-25-16(24-18(21)26-19)13-27-9-11-28(12-10-27)17-3-1-2-8-22-17/h1-8H,9-13H2,(H3,21,23,24,25,26)
PubChem CID	666078
ChEMBL	CHEMBL1600031
IUPHAR	N/A
BindingDB	48928
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	1512.0 nM	PubChem BioAssay data set	ChEMBL

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