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GLASS

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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	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	CHEMBL104985
Molecular formula	C14H18ClN3O
IUPAC name	5-chloro-7-methyl-2-(4-methyl-1,4-diazepan-1-yl)-1,3-benzoxazole
Molecular weight	279.768
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	BDBM50066000 HUKVXBOLNLWFQV-UHFFFAOYSA-N 5-chloro-7-methyl-2-(4-methyl-1-homopiperazinyl)benzoxazole SCHEMBL2743725 5-Chloro-7-methyl-2-(4-methyl-[1,4]diazepan-1-yl)-benzooxazole 2-(4-Methylhexahydro-1H-1,4-diazepine-1-yl)-5-chloro-7-methylbenzoxazole [ Show all ]
Inchi Key	HUKVXBOLNLWFQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H18ClN3O/c1-10-8-11(15)9-12-13(10)19-14(16-12)18-5-3-4-17(2)6-7-18/h8-9H,3-7H2,1-2H3
PubChem CID	9795675
ChEMBL	CHEMBL104985
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	8.0 %	PMID9685241	ChEMBL
Inhibition	88.0 %	PMID9685241	ChEMBL

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