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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	CHEMBL3758721
Molecular formula	C20H27ClN4O3
IUPAC name	4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(2-pyrrol-1-ylethyl)piperidin-4-yl]benzamide
Molecular weight	406.911
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.6
Synonyms	BDBM50142917 SCHEMBL3317846
Inchi Key	BESRCGRINPRVRC-PKOBYXMFSA-N
Inchi ID	InChI=1S/C20H27ClN4O3/c1-27-18-12-16(22)15(21)11-14(18)20(26)23-17-5-8-25(13-19(17)28-2)10-9-24-6-3-4-7-24/h3-4,6-7,11-12,17,19H,5,8-10,13,22H2,1-2H3,(H,23,26)/t17-,19+/m0/s1
PubChem CID	68593774
ChEMBL	CHEMBL3758721
IUPHAR	N/A
BindingDB	50142917
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5759.0 nM	PMID26761776	BindingDB,ChEMBL

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