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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	UNII-QPE81T4KH0
Molecular formula	C23H32FN3O4
IUPAC name	6-fluoro-N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-3,3-dimethyl-2-oxoindole-1-carboxamide
Molecular weight	433.524
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	1400811-63-3 PF-03227077 BDBM50398588 D01ABX 1H-Indole-1-carboxamide, 6-fluoro-2,3-dihydro-3,3-dimethyl-2-oxo-N-((1-((tetrahydro-4-hydroxy-2H-pyran-4-yl)methyl)-4-piperidinyl)methyl)- PF-03382792 DB12949 QPE81T4KH0 CHEMBL2179582 [ Show all ]
Inchi Key	AGMOFKKOVMRGAK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H32FN3O4/c1-22(2)18-4-3-17(24)13-19(18)27(20(22)28)21(29)25-14-16-5-9-26(10-6-16)15-23(30)7-11-31-12-8-23/h3-4,13,16,30H,5-12,14-15H2,1-2H3,(H,25,29)
PubChem CID	71451950
ChEMBL	CHEMBL2179582
IUPHAR	N/A
BindingDB	50398588
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	0.8 nM	PMID22974325	BindingDB
EC50	0.8 nM	PMID22974325	ChEMBL
EC50	0.9 nM	PMID22974325	ChEMBL
EC50	0.9 nM	PMID22974325	BindingDB
EC50	1.2 nM	PMID22974325	BindingDB,ChEMBL
EC50	1.3 nM	PMID22974325	BindingDB,ChEMBL
Emax	21.0 %	PMID22974325	ChEMBL
Emax	35.0 %	PMID22974325	ChEMBL
Emax	40.0 %	PMID22974325	ChEMBL
Emax	53.0 %	PMID22974325	ChEMBL
Ki	2.7 nM	PMID22974325	BindingDB,ChEMBL
Ki	4.6 nM	PMID22974325	BindingDB,ChEMBL
Ki	6.3 nM	PMID22974325	BindingDB,ChEMBL
Ki	6.8 nM	PMID22974325	BindingDB,ChEMBL

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