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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	CHEMBL99590
Molecular formula	C18H25N5O2
IUPAC name	3-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
Molecular weight	343.431
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.5
Synonyms	3-Cyclopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid [2-(4-methyl-piperazin-1-yl)-ethyl]-amide BDBM50079285 3-Cyclopropyl-N-[2-(4-methylpiperazino)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide
Inchi Key	CAAUXNQASKNABQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25N5O2/c1-20-10-12-21(13-11-20)9-8-19-17(24)23-16-5-3-2-4-15(16)22(18(23)25)14-6-7-14/h2-5,14H,6-13H2,1H3,(H,19,24)
PubChem CID	10688750
ChEMBL	CHEMBL99590
IUPHAR	N/A
BindingDB	50079285
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	0.36 -	PMID10425096	ChEMBL
Ki	10.0 nM	PMID10425096	BindingDB
Ki	10.2 nM	PMID10425096	ChEMBL
pKb	7.24 -	PMID10425096	ChEMBL

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