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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 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	CHEMBL2179589
Molecular formula	C23H34N2O5
IUPAC name	4-[[4-[[4-(2-methylpropoxy)-1,2-benzoxazol-3-yl]oxymethyl]piperidin-1-yl]methyl]oxan-4-ol
Molecular weight	418.534
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	4-[(4-{[(4-Isobutoxy-1,2-benzisoxazol-3-yl)oxy]methyl}piperidin-1-yl)methyl]tetrahydro-2H-pyran-4-ol CBAXDQOODLLERS-UHFFFAOYSA-N SCHEMBL2333073 4-[(4-{[(4-Isobutoxy-1,2-benzisoxazol-3-yl)oxy]methyl}piperidin-1-yl)methyl]-tetrahydro-2H-pyran-4-ol BDBM50398596
Inchi Key	CBAXDQOODLLERS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H34N2O5/c1-17(2)14-28-19-4-3-5-20-21(19)22(24-30-20)29-15-18-6-10-25(11-7-18)16-23(26)8-12-27-13-9-23/h3-5,17-18,26H,6-16H2,1-2H3
PubChem CID	53357029
ChEMBL	CHEMBL2179589
IUPHAR	N/A
BindingDB	50398596
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	0.98 nM	PMID22974325	BindingDB,ChEMBL
Emax	85.0 %	PMID22974325	ChEMBL
Ki	0.36 nM	PMID22974325	BindingDB,ChEMBL

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