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GLASS

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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	CHEMBL1290804
Molecular formula	C19H21N3OS
IUPAC name	3-methyl-8-[(1-prop-2-ynylpiperidin-4-yl)methoxy]-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
Molecular weight	339.457
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM50417384
Inchi Key	BTBUVGCYGINDLP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h1,4-5,9,13,15H,6-8,10-12H2,2H3
PubChem CID	45276946
ChEMBL	CHEMBL1290804
IUPHAR	N/A
BindingDB	50417384
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	0.0 %	PMID20817325	ChEMBL
Inhibition	85.0 %	PMID20817325	ChEMBL
Ki	891.25 nM	PMID20817325	BindingDB,ChEMBL

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