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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Prostaglandin E2 receptor EP4 subtype
Species	Rattus norvegicus (Rat)
Gene	Ptger4
Synonym	EP2 EP4 receptor PGE receptor EP4 subtype PGE2 receptor EP4 subtype Prostanoid EP4 receptor
Disease	N/A for non-human GPCRs
Length	488
Amino acid sequence	MSIPGVNASFSSTPERLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGDQALCDYSTFILLFFGLSGLSIICAMSIERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGRSERQYPGTWCFIDWTTNVTAYAAFSYMYAGFSSFLILATVLCNVLVCGALLRMLRQFMRRTSLGTEQHHAAAAAAVASVACRGHAAASPALQRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFINQLYQPSVVKDISRNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSGRDGSAQHCSESRRTSSAMSGHSRSFLSRELREISSTSHTLLYLPDLTESSLGGKNLLPGTHGMGLTQADTTSLRTLRISETSDSSQGQDSESVLLVDEVSGSQREEPASKGNSLQVTFPSETLKLSEKCI
UniProt	P43114
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	CHEMBL4086
IUPHAR	343
DrugBank	N/A

Ligand

Name	CHEMBL292964
Molecular formula	C23H32O6S
IUPAC name	4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid
Molecular weight	436.563
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	1.5
Synonyms	4-(2-{(1R,2R,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-5-oxo-cyclopentyl}-ethylsulfanyl)-butyric acid GTPL8541 16-[3-(Methoxymethyl)phenyl]-5-thia-17,18,19,20-tetranorprostaglandin E1 4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid ONO-AE1-437 BDBM50101858 4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3-(methoxymethyl)phenyl)but-1-enyl)-5-oxocyclopentyl)ethylthio)butanoic acid D03YAS SCHEMBL2306273 (8R,13E,15S)-9-Oxo-11alpha,15-dihydroxy-16-[3-(methoxymethyl)phenyl]-5-thia-17,18,19,20-tetranorprosta-13-ene-1-oic acid [ Show all ]
Inchi Key	ORSJUPRAHPZYRL-XHTUOEPPSA-N
Inchi ID	InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1
PubChem CID	9824353
ChEMBL	CHEMBL292964
IUPHAR	8541
BindingDB	50101858
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1.4 nM	PMID22204740	BindingDB,ChEMBL

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