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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 4
Species	Rattus norvegicus (Rat)
Gene	Htr4
Synonym	5-HT-4 5-HT4 5-HT4 receptor 5-hydroxytryptamine (serotonin) receptor 4, G protein-coupled serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	406
Amino acid sequence	MDRLDANVSSNEGFGSVEKVVLLTFFAMVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVNAFGAIELVQDIWFYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDVIEKRKFNHNSNSTFCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHAQQIQMLQRAGATSESRPQTADQHSTHRMRTETKAAKTLCVIMGCFCFCWAPFFVTNIVDPFIDYTVPEKVWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYKRPPILGQTVPCSTTTINGSTHVLRDTVECGGQWESRCHLTATSPLVAAQPVIRRPQDNDLEDSCSLKRSQS
UniProt	Q62758
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	CHEMBL4317
IUPHAR	9
DrugBank	N/A

Ligand

Name	CHEMBL59834
Molecular formula	C19H26N4O2
IUPAC name	N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
Molecular weight	342.443
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.5
Synonyms	N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide AC1L2ZOK PDSP2_001655 3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide PDSP1_001671 BDBM50056404 SCHEMBL3096608 L000648 PDSP1_001672 [ Show all ]
Inchi Key	AFOFVIBWSLOHFR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
PubChem CID	131725
ChEMBL	CHEMBL59834
IUPHAR	N/A
BindingDB	50056404
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	12.59 nM	Bioorg. Med. Chem. Lett., (1993) 3:4:633	ChEMBL
EC50	13.0 nM	N/A	BindingDB
Intrinsic activity	0.9 -	Bioorg. Med. Chem. Lett., (1993) 3:4:633	ChEMBL
Ki	15.84 nM	PMID9225293	BindingDB
Ki	19.05 nM	PMID9351641	BindingDB
Ki	50.11 nM	PMID9225293	BindingDB
Ki	79.43 nM	PMID9225293	BindingDB
Ki	257.0 nM	PMID9046352	BindingDB,ChEMBL
Relaxation	2.7 %	PMID9599243	ChEMBL
Relaxation	13.8 %	PMID9599243	ChEMBL
Relaxation	55.0 %	PMID9599243	ChEMBL

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