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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	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	CHEMBL95235
Molecular formula	C20H31N5O2
IUPAC name	2-oxo-3-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
Molecular weight	373.501
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.5
Synonyms	3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid [2-(4-isopropyl-piperazin-1-yl)-ethyl]-amide BDBM50079301 3-Isopropyl-N-[2-(4-isopropylpiperazino)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide
Inchi Key	DOJDIVHKNPSSHL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31N5O2/c1-15(2)23-13-11-22(12-14-23)10-9-21-19(26)25-18-8-6-5-7-17(18)24(16(3)4)20(25)27/h5-8,15-16H,9-14H2,1-4H3,(H,21,26)
PubChem CID	10761898
ChEMBL	CHEMBL95235
IUPHAR	N/A
BindingDB	50079301
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	0.66 -	PMID10425096	ChEMBL
Ki	89.8 nM	PMID10425096	ChEMBL
Ki	90.0 nM	PMID10425096	BindingDB
pKb	>6.0 -	PMID10425096	ChEMBL

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