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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 4
Species	Homo sapiens (Human)
Gene	HTR4
Synonym	5-HT-4 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled 5-HT4 receptor 5-HT4 serotonin receptor 4
Disease	N/A
Length	388
Amino acid sequence	MDKLDANVSSEEGFGSVEKVVLLTFLSTVILMAILGNLLVMVAVCWDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWIYGEVFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPTFISFLPIMQGWNNIGIIDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAHQIQMLQRAGASSESRPQSADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDAVECGGQWESQCHPPATSPLVAAQPSDT
UniProt	Q13639
Protein Data Bank	N/A
GPCR-HGmod model	Q13639
3D structure model	This predicted structure model is from GPCR-EXP Q13639.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1875
IUPHAR	9
DrugBank	BE0000084

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-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 (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 [ 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
Ki	0.01585 nM	PMID19261477	ChEMBL
Ki	0.03 nM	PMID10646498	BindingDB
Ki	0.039 - 0.16 nM	PMID9349523, PMID10646498, PMID10683202, PMID11030734	IUPHAR
Ki	0.06 nM	PMID10646498	BindingDB
Ki	0.1 nM	PMID9349523, PMID10646498	PDSP,BindingDB

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