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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	CHEMBL319886
Molecular formula	C21H33N5O2
IUPAC name	N-[2-(4-butylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
Molecular weight	387.528
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM50079315 3-Isopropyl-N-[2-(4-butylpiperazino)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide 3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid [2-(4-butyl-piperazin-1-yl)-ethyl]-amide
Inchi Key	BVQMWXUNVFYVPB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H33N5O2/c1-4-5-11-23-13-15-24(16-14-23)12-10-22-20(27)26-19-9-7-6-8-18(19)25(17(2)3)21(26)28/h6-9,17H,4-5,10-16H2,1-3H3,(H,22,27)
PubChem CID	10643950
ChEMBL	CHEMBL319886
IUPHAR	N/A
BindingDB	50079315
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Intrinsic activity	>0.3 -	PMID10425096	ChEMBL
Ki	38.9 nM	PMID10425096	ChEMBL
Ki	39.0 nM	PMID10425096	BindingDB
pKb	7.94 -	PMID10425096	ChEMBL

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