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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Sus scrofa (Pig)
Gene	HTR2A
Synonym	5-HT-2 5-HT-2A 5-HT2A Serotonin receptor 2A
Disease	N/A for non-human GPCRs
Length	470
Amino acid sequence	MDVLCEENTSLSSPTNSFMQLNDDTRLYHNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPPCFSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHRRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQTGQKENSKQDDKATENDCTMVALGKQHSEDAPADNSNTVNEKVSCV
UniProt	P50129
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	CHEMBL2490
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL56118
Molecular formula	C16H18N4
IUPAC name	5-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrole-3-carbonitrile
Molecular weight	266.348
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.9
Synonyms	BDBM50115715 5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-carbonitrile
Inchi Key	IKBANCXZZJPIEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
PubChem CID	44301054
ChEMBL	CHEMBL56118
IUPHAR	N/A
BindingDB	50115715
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	610.0 nM	PMID12113813	BindingDB,ChEMBL

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