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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	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	CHEMBL1290805
Molecular formula	C19H22IN3OS
IUPAC name	8-[[1-[(E)-3-iodoprop-2-enyl]piperidin-4-yl]methoxy]-3-methyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Molecular weight	467.369
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.5
Synonyms	BDBM50417385
Inchi Key	AVLHCMOYQQLHGG-XVNBXDOJSA-N
Inchi ID	InChI=1S/C19H22IN3OS/c1-14-13-25-19-17(14)23-9-2-4-16(23)18(21-19)24-12-15-5-10-22(11-6-15)8-3-7-20/h2-4,7,9,13,15H,5-6,8,10-12H2,1H3/b7-3+
PubChem CID	49845575
ChEMBL	CHEMBL1290805
IUPHAR	N/A
BindingDB	50417385
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	0.0 %	PMID20817325	ChEMBL
Inhibition	87.0 %	PMID20817325	ChEMBL
Ki	128.82 nM	PMID20817325	BindingDB,ChEMBL

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