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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 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	CHEMBL223151
Molecular formula	C18H31NO4S
IUPAC name	4-[2-[(2R)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid
Molecular weight	357.509
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.3
Synonyms	SCHEMBL2446210 4-(2-((R)-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxopyrrolidin-1-yl)ethylthio)butanoic acid 4-[(2-{(2R)-2-[(1E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl}ethyl)thio]butanoic acid BDBM50156554 LDTVAEAOOFGOEC-OZVGAOPWSA-N 4-[(2-{(2R)2-[(1E,3S)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl }ethyl)thio]butanoic acid [ Show all ]
Inchi Key	LDTVAEAOOFGOEC-OZVGAOPWSA-N
Inchi ID	InChI=1S/C18H31NO4S/c1-2-3-4-6-16(20)10-8-15-9-11-17(21)19(15)12-14-24-13-5-7-18(22)23/h8,10,15-16,20H,2-7,9,11-14H2,1H3,(H,22,23)/b10-8+/t15-,16-/m0/s1
PubChem CID	9885106
ChEMBL	CHEMBL223151
IUPHAR	N/A
BindingDB	50156554
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1900.0 nM	PMID15566283	BindingDB,ChEMBL

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