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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	GR 113808
Molecular formula	C19H27N3O4S
IUPAC name	[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Molecular weight	393.502
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.7
Synonyms	[3H]GR113808 3H-GR113808 CHEBI:73380 HMS3267N17 MFCD00912901 NCGC00025110-01 PDSP2_001605 Tocris-1322 1-[2-[(Methylsulfonyl)-amino]ethyl]-4-piperidinyl]methyl 1-methyl-1H-indole-3-carboxylate B6688 CTK8E9846 GR-113808 L000649 NCGC00015477-01 NCGC00260967-01 SCHEMBL1502039 ZINC598220 [1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate (1-(2-(Methylsulfonylamino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate BRD-K49945136-001-03-5 EU-0100282 HMS2233H10 LP00282 NCGC00015477-04 PDSP1_001699 SR-01000075757-1 1-Methyl-1H-indole-3-carboxylic acid, [1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl ester AC1L3OP5 GR 113808, >=98% (HPLC), solid HMS3374F10 MLS000862181 NCGC00025110-02 PDSP2_001682 Tox21_500282 ZT350OYT3I 144625-51-4 BDBM29525 D08JLW GR113808 Lopac-G-5918 NCGC00015477-02 PDSP1_000842 SMR000326944 [3H] GR 113808 (1-{2-[(methylsulfonyl)amino]ethyl}piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate CCG-204377 G 5918 HMS3260J06 LS-173222 NCGC00015477-05 PDSP2_000829 SR-01000075757-3 1-methyl-1H-indole-3-carboxylicacid,[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methylester AKOS024456527 CHEMBL33884 GR-113,808 J-007977 MolPort-003-941-514 NCGC00025110-03 RT-013114 UNII-ZT350OYT3I [1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate (1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate 1H-Indole-3-carboxylic acid, 1-methyl-, (1-(2-((methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl ester BN0621 DTXSID40162772 GTPL247 Lopac0_000282 NCGC00015477-03 PDSP1_001621 SR-01000075757 [ Show all ]
Inchi Key	MOZPSIXKYJUTKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
PubChem CID	119376
ChEMBL	CHEMBL33884
IUPHAR	247
BindingDB	29525
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	PMID9046352	BindingDB,ChEMBL
Ki	0.06 nM	PMID8903510	PDSP,BindingDB
Ki	0.11 nM	PMID10425096	BindingDB,ChEMBL
Ki	0.25 nM	PMID7984267, PMID8358562	PDSP,BindingDB
Ki	0.31 nM	PMID7984267, PMID8358562, PMID8867105	PDSP,BindingDB
Ki	0.39 nM	PMID9349523	PDSP,BindingDB
pKb	9.49 -	PMID10425096	ChEMBL

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