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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	CHEMBL3218879
Molecular formula	C22H29N3OS
IUPAC name	8-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight	383.554
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.3
Synonyms	N/A
Inchi Key	FDKVWYMLLXDHFI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29N3OS/c1-2-5-17(6-3-1)15-24-12-8-18(9-13-24)16-26-21-20-7-4-11-25(20)22-19(23-21)10-14-27-22/h4,7,10-11,14,17-18H,1-3,5-6,8-9,12-13,15-16H2
PubChem CID	90666007
ChEMBL	CHEMBL3218879
IUPHAR	N/A
BindingDB	N/A
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 %	MedChemComm, (2012) 3:5:627	ChEMBL
Inhibition	96.0 %	MedChemComm, (2012) 3:5:627	ChEMBL
Ki	79.9 nM	MedChemComm, (2012) 3:5:627	ChEMBL

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