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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.
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GPCR

Name	Prostaglandin E2 receptor EP3 subtype
Species	Homo sapiens (Human)
Gene	PTGER3
Synonym	EP3 receptor PGE receptor EP3 subtype PGE2 receptor EP3 subtype PGE2-R prostaglandin E receptor 3 Prostanoid EP3 receptor [ Show all ]
Disease	Pain Peripheral vascular disease Asthma Glaucoma
Length	390
Amino acid sequence	MKETRGYGGDAPFCTRLNHSYTGMWAPERSAEARGNLTRPPGSGEDCGSVSVAFPITMLLTGFVGNALAMLLVSRSYRRRESKRKKSFLLCIGWLALTDLVGQLLTTPVVIVVYLSKQRWEHIDPSGRLCTFFGLTMTVFGLSSLFIASAMAVERALAIRAPHWYASHMKTRATRAVLLGVWLAVLAFALLPVLGVGQYTVQWPGTWCFISTGRGGNGTSSSHNWGNLFFASAFAFLGLLALTVTFSCNLATIKALVSRCRAKATASQSSAQWGRITTETAIQLMGIMCVLSVCWSPLLIMMLKMIFNQTSVEHCKTHTEKQKECNFFLIAVRLASLNQILDPWVYLLLRKILLRKFCQIRYHTNNYASSSTSLPCQCSSTLMWSDHLER
UniProt	P43115
Protein Data Bank	6m9t
GPCR-HGmod model	P43115
3D structure model	This structure is from PDB ID 6m9t.
BioLiP	BL0434681
Therapeutic Target Database	T85467
ChEMBL	CHEMBL3710
IUPHAR	342
DrugBank	BE0002375

Ligand

Name	DG-041
Molecular formula	C23H15Cl4FN2O3S2
IUPAC name	(E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide
Molecular weight	592.302
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	7.8
Synonyms	DG041 2-PROPENAMIDE, 3-[1-[(2,4-DICHLOROPHENYL)METHYL]-5-FLUORO-3-METHYL-1H-INDOL-7-YL]-N-[(4,5-DICHLORO-2 BFBTVZNKWXWKNZ-HWKANZROSA-N SB16533 (2e)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-1h-indol-7-yl]-n-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide CHEMBL565591 DG 041 UNII-1844425CLP 1844425CLP AKOS032962881 DTSI 3-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)-N-(4,5-dichlorothiophen-2-ylsulfonyl)acrylamide BRD-K33272502-001-01-2 D-000151746 SCHEMBL13750562 (2E)-3-{1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-1H-indol-7-yl}-N-[(4,5-dichlorothiophen-2-yl)sulfonyl]prop-2-enamide 2-Propenamide, 3-(1-((2,4-dichlorophenyl)methyl)-5-fluoro-3-methyl-1H-indol-7-yl)-N-((4,5-dichloro-2-thienyl)sulfonyl)-, (2E)- BDBM50303662 GTPL5822 4,5-dichloro-thiophene-2-sulfonic acid [(E)-3-[1-(2,4-dichlorophenylmethyl)-5-fluoro-3-methyl-1H-indol-7-yl]-acryloyl]amide D08QHS SCHEMBL15253854 (E)-3-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-N-(4,5-dichlorothiophen-2-yl)sulfonylprop-2-enamide 861238-35-9 [ Show all ]
Inchi Key	BFBTVZNKWXWKNZ-HWKANZROSA-N
Inchi ID	InChI=1S/C23H15Cl4FN2O3S2/c1-12-10-30(11-14-2-4-15(24)7-18(14)25)22-13(6-16(28)8-17(12)22)3-5-20(31)29-35(32,33)21-9-19(26)23(27)34-21/h2-10H,11H2,1H3,(H,29,31)/b5-3+
PubChem CID	11296282
ChEMBL	CHEMBL565591
IUPHAR	5822
BindingDB	50303662
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
FC	1.3 -	PMID19836233	ChEMBL
IC50	4.6 nM	PMID19957930, PMID19836233	BindingDB,ChEMBL
IC50	6.0 nM	PMID19957930	BindingDB,ChEMBL
Ki	0.08 nM	PMID18632791	IUPHAR
Ki	0.12 nM	PMID18632791	IUPHAR
Ki	0.3 nM	PMID18632791	IUPHAR
Ki	3.9 nM	PMID19486006	IUPHAR
Ratio IC50	1.3 -	PMID19957930	ChEMBL

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