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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	3-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1h-indole
Molecular formula	C17H19N5
IUPAC name	3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-indole
Molecular weight	293.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.0
Synonyms	IFLab1_004430 Oprea1_826947 3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-indole GKKBEFXMNBECNL-UHFFFAOYSA-N MolPort-000-739-026 SR-01000010007 AC1L8GPQ HMS3312F14 NSC713724 ZINC59857731 CHEMBL1597217 MCULE-5228574574 Piperazine, 1-(3-indolylmethyl)-4-(2-pyrimidyl)- HMS1424J08 NCI60_039564 SR-01000010007-1 AKOS022095992 IDI1_010185 Oprea1_412143 3-([4-(2-Pyrimidinyl)-1-piperazinyl]methyl)-1H-indole # CTK5J7493 MLS000038534 SMR000037937 371137-40-5 HMS2157J24 NSC-713724 STL332686 [ Show all ]
Inchi Key	GKKBEFXMNBECNL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5/c1-2-5-16-15(4-1)14(12-20-16)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h1-7,12,20H,8-11,13H2
PubChem CID	401019
ChEMBL	CHEMBL1597217
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	423.95 nM	PubChem BioAssay data set	ChEMBL

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