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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	SB 204070 hydrochloride
Molecular formula	C19H27ClN2O4
IUPAC name	(1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate
Molecular weight	382.885
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	(1-n-butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate CAS_121881 L000653 PDSP1_001682 CHEMBL68131 LS-187292 SB-204,070 (1-Butyl-4-piperidyl)methyl 5-amino-4-chloro-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene-2-carboxylate AKOS027422837 GTPL256 NCGC00162328-01 SCHEMBL1041174 CCG-205125 Lopac-S-3313 PDSP2_001665 (1-Butyl-4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxylate D0N8EL NCGC00015946-01 SB-204070 (1-butylpiperidin-4-yl)methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate BDBM82505 KB-272760 NSC_121881 ZINC1536586 148702-58-3 Lopac0_001048 (1-butyl-4-piperidinyl)methyl-8-amino-7-chloro-1,4-benzodioxane-5-carboxylate AC1L3TKM DTXSID90164069 NCGC00015946-02 SB204070 [ Show all ]
Inchi Key	AOOSJYIINXVNHV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
PubChem CID	121881
ChEMBL	CHEMBL68131
IUPHAR	256
BindingDB	82505
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	0.07943 nM	Bioorg. Med. Chem. Lett., (1994) 4:5:667, PMID7490724	ChEMBL
IC50	0.079433 nM	N/A	BindingDB
IC50	0.08 nM	PMID7490724	BindingDB
IC50	0.1 nM	PMID8258837	BindingDB
IC50	0.1 nM	PMID8258837	ChEMBL
Kd	0.02 nM	PMID24157369	ChEMBL
Kd	0.02 nM	PMID24157369	BindingDB
Ki	0.01 nM	PMID8903510	PDSP,BindingDB
Ki	0.01288 nM	Bioorg. Med. Chem. Lett., (1994) 4:20:2481	ChEMBL
Ki	0.07 nM	PMID9349523	PDSP,BindingDB

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