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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	BDBM29528
Molecular formula	C33H38ClN5O6
IUPAC name	2-[4-[6-(6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight	636.146
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	3.8
Synonyms	ML10302 scaffold, 9{a;y}
Inchi Key	BVSHRWXIROPTPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H38ClN5O6/c1-44-28-19-27(36)25(34)18-24(28)33(43)45-17-16-38-14-11-20(12-15-38)37-29(40)8-3-2-4-13-39-31(41)22-7-5-6-21-26(35)10-9-23(30(21)22)32(39)42/h5-7,9-10,18-20H,2-4,8,11-17,35-36H2,1H3,(H,37,40)
PubChem CID	42618249
ChEMBL	N/A
IUPHAR	N/A
BindingDB	29528
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
EC50	4.0 nM	PMID19334715	BindingDB
Ki	111.0 nM	PMID19334715	BindingDB

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