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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	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	144625-51-4 BDBM29525 D08JLW GR113808 Lopac-G-5918 NCGC00015477-02 PDSP1_000842 SMR000326944 ZT350OYT3I [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-(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 [1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate [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-(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-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate 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 [ 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
Activity	1.0 %	PMID17676726	ChEMBL
Activity	99.0 %	PMID17676726	ChEMBL
IC50	0.21 nM	PMID23043420	BindingDB,ChEMBL
Kb	0.03 nM	PMID23043420	ChEMBL
Kd	15.81 nM	PMID17067154	BindingDB
Ki	0.02 nM	PMID9351641	PDSP,BindingDB
Ki	0.03981 nM	PMID24113240, PMID23711770	ChEMBL
Ki	0.05 nM	PMID11218067	BindingDB
Ki	0.05 - 0.51 nM	PMID9349523, PMID9603189, PMID9351641, PMID10646498, PMID11218067, PMID11030734, PMID15351779	IUPHAR
Ki	0.07 nM	PMID9603189	BindingDB
Ki	0.07413 nM	PMID21075638	ChEMBL
Ki	0.078 nM	PMID11020291	BindingDB,ChEMBL
Ki	0.079 nM	PMID11218067	BindingDB
Ki	0.09 nM	PMID9351641	PDSP,BindingDB
Ki	0.1 nM	PMID11020291	BindingDB,ChEMBL
Ki	0.15 nM	PMID9349523, PMID8867105	PDSP,BindingDB
Ki	0.1585 nM	PMID19261477	ChEMBL
Ki	0.25 nM	PMID10646498, PMID9349523	PDSP,BindingDB
Ki	0.251189 nM	PMID25149506	BindingDB
Ki	0.2512 nM	PMID25149506	ChEMBL
Ki	0.31 nM	PMID10646498	BindingDB
Ki	0.33 nM	PMID11020291, PMID9603189	BindingDB,ChEMBL
Ki	0.41 nM	PMID11020291, PMID9603189	BindingDB,ChEMBL
Ki	0.5 nM	PMID10646498, PMID17676726	BindingDB,ChEMBL
Ki	0.53 nM	PMID11020291, PMID9603189	BindingDB,ChEMBL
Ki	0.7 nM	PMID17676726	BindingDB,ChEMBL
pKb	8.7 -	PMID24113240, PMID23711770	ChEMBL
pKb	9.24 -	PMID21075638	ChEMBL
pKb	10.1 -	PMID25149506	ChEMBL

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