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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	RS 39604
Molecular formula	C26H36ClN3O6S
IUPAC name	N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide
Molecular weight	554.099
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.1
Synonyms	AC1NOXR2 BRD2498 Methanesulfonamide, N-(2-(4-(3-(4-amino-5-chloro-2-((3,5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)- SCHEMBL2946020 Biomol-NT_000149 NCGC00024922-02 ZINC26267226 161362-65-8 BRD-K20742498-001-01-5 GNF-Pf-5475 BDBM82273 CAS_167710-87-4 N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide Tocris-0991 BPBio1_000573 CHEMBL66114 PDSP1_001669 BRD-K20742498-003-01-1 L011797 RS-39604 beta-[1-[2-(Methylsulfonylamino)ethyl]-4-piperidinyl]-4'-amino-5'-chloro-2'-(3,5-dimethoxybenzyloxy)propiophenone CHEBI:64083 NCGC00024922-01 UNII-0RP0I19CSC 0RP0I19CSC BRD-2498 DTXSID0043898 PDSP2_001653 [ Show all ]
Inchi Key	BKVIWGRFRKLFIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
PubChem CID	5145950
ChEMBL	CHEMBL66114
IUPHAR	N/A
BindingDB	82273
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.7413 nM	Bioorg. Med. Chem. Lett., (1994) 4:20:2481	ChEMBL
Ki	0.79 nM	PMID7582507, PMID8903510	BindingDB

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