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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 4
Species	Homo sapiens (Human)
Gene	HTR4
Synonym	5-HT-4 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled 5-HT4 receptor 5-HT4 serotonin receptor 4
Disease	N/A
Length	388
Amino acid sequence	MDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProt	Q13639
Protein Data Bank	N/A
GPCR-HGmod model	Q13639
3D structure model	This predicted structure model is from GPCR-EXP Q13639.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1875
IUPHAR	9
DrugBank	BE0000084

Ligand

Name	CHEMBL2179679
Molecular formula	C22H29N3O
IUPAC name	4-[(1-butylpiperidin-4-yl)methoxy]-2-methylpyrrolo[3,4-c]quinoline
Molecular weight	351.494
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.5
Synonyms	SCHEMBL2024483 BDBM50398973
Inchi Key	BVKKVAJCVCQCFL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29N3O/c1-3-4-11-25-12-9-17(10-13-25)16-26-22-20-15-24(2)14-19(20)18-7-5-6-8-21(18)23-22/h5-8,14-15,17H,3-4,9-13,16H2,1-2H3
PubChem CID	44629280
ChEMBL	CHEMBL2179679
IUPHAR	N/A
BindingDB	50398973
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	7.94 nM	PMID23043420	BindingDB
Ki	7.943 nM	PMID23043420	ChEMBL

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