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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 4
Species	Cavia porcellus (Guinea pig)
Gene	HTR4
Synonym	5-HT-4 5-HT4 Serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT
UniProt	O70528
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL5017
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL174935
Molecular formula	C22H36ClN5O2
IUPAC name	4-amino-N-[1-[[1-(3-aminopropyl)piperidin-4-yl]methyl]piperidin-4-yl]-5-chloro-2-methoxybenzamide
Molecular weight	438.013
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50112040 L018546 4-Amino-N-{1-[1-(3-amino-propyl)-piperidin-4-ylmethyl]-piperidin-4-yl}-5-chloro-2-methoxy-benzamide N-[1-[1-(3-Aminopropyl)piperidine-4-ylmethyl]piperidine-4-yl]-2-methoxy-4-amino-5-chlorobenzamide
Inchi Key	DMUBQZCKFYYDBF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H36ClN5O2/c1-30-21-14-20(25)19(23)13-18(21)22(29)26-17-5-11-28(12-6-17)15-16-3-9-27(10-4-16)8-2-7-24/h13-14,16-17H,2-12,15,24-25H2,1H3,(H,26,29)
PubChem CID	44214754
ChEMBL	CHEMBL174935
IUPHAR	N/A
BindingDB	50112040
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	13.0 nM	PMID11959005	BindingDB
IC50	13.4 nM	PMID11959005	ChEMBL

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