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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 EP1 subtype
Species	Homo sapiens (Human)
Gene	PTGER1
Synonym	PGE receptor EP1 subtype EP1 receptor prostaglandin E receptor 1 (subtype EP1), 42kDa Prostanoid EP1 receptor EP1 prostanoid receptor PGE2 receptor EP1 subtype [ Show all ]
Disease	Unspecified Thrombosis Pollakiuria Pain
Length	402
Amino acid sequence	MSPCGPLNLSLAGEATTCAAPWVPNTSAVPPSGASPALPIFSMTLGAVSNLLALALLAQAAGRLRRRRSAATFLLFVASLLATDLAGHVIPGALVLRLYTAGRAPAGGACHFLGGCMVFFGLCPLLLGCGMAVERCVGVTRPLLHAARVSVARARLALAAVAAVALAVALLPLARVGRYELQYPGTWCFIGLGPPGGWRQALLAGLFASLGLVALLAALVCNTLSGLALLRARWRRRSRRPPPASGPDSRRRWGAHGPRSASASSASSIASASTFFGGSRSSGSARRARAHDVEMVGQLVGIMVVSCICWSPMLVLVALAVGGWSSTSLQRPLFLAVRLASWNQILDPWVYILLRQAVLRQLLRLLPPRAGAKGGPAGLGLTPSAWEASSLRSSRHSGLSHF
UniProt	P34995
Protein Data Bank	N/A
GPCR-HGmod model	P34995
3D structure model	This predicted structure model is from GPCR-EXP P34995.
BioLiP	N/A
Therapeutic Target Database	T15497
ChEMBL	CHEMBL1811
IUPHAR	340
DrugBank	BE0000064

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
IC50	<20000.0 nM	PMID19957930	BindingDB,ChEMBL

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