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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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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	SMR000082072
Molecular formula	C24H29N7O
IUPAC name	4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
Molecular weight	431.544
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.5
Synonyms	4-(3,4-dihydro-2H-quinolin-1-yl)-6-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3,5-triazin-2-amine CHEMBL1576495 SR-01000298183-1 4-{[4-(3-methoxyphenyl)piperazinyl]methyl}-6-(1,2,3,4-tetrahydroquinolyl)-1,3, 5-triazine-2-ylamine MLS000052567 ZINC1419213 AKOS002204106 4-(3,4-dihydroquinolin-1(2H)-yl)-6-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazin-2-amine HMS2298L09 ST50132732 726198-71-6 MLS002548480 4-(3,4-dihydro-1(2H)-quinolinyl)-6-{[4-(3-methoxyphenyl)-1-piperazinyl]methyl}-1,3,5-triazin-2-amine SR-01000298183 4-[3,4-dihydro-1(2H)-quinolinyl]-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-amine MCULE-5865533311 STK203246 AC1LT38F MolPort-000-488-743 [ Show all ]
Inchi Key	DRBZYDQLNLYGTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H29N7O/c1-32-20-9-4-8-19(16-20)30-14-12-29(13-15-30)17-22-26-23(25)28-24(27-22)31-11-5-7-18-6-2-3-10-21(18)31/h2-4,6,8-10,16H,5,7,11-15,17H2,1H3,(H2,25,26,27,28)
PubChem CID	1500638
ChEMBL	CHEMBL1576495
IUPHAR	N/A
BindingDB	N/A
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	76063.0 nM	PubChem BioAssay data set	ChEMBL

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