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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	CHEMBL567274
Molecular formula	C26H20N2O3S2
IUPAC name	(E)-3-[1-(naphthalen-2-ylmethyl)indol-7-yl]-N-thiophen-2-ylsulfonylprop-2-enamide
Molecular weight	472.577
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.7
Synonyms	BDBM50303698 Thiophene-2-sulfonic Acid [(E)-3-(1-Naphthalen-2-ylmethyl-1H-indol-7-yl)acryloyl]amide
Inchi Key	BEQMJPPFUNGRON-OUKQBFOZSA-N
Inchi ID	InChI=1S/C26H20N2O3S2/c29-24(27-33(30,31)25-9-4-16-32-25)13-12-21-7-3-8-22-14-15-28(26(21)22)18-19-10-11-20-5-1-2-6-23(20)17-19/h1-17H,18H2,(H,27,29)/b13-12+
PubChem CID	44626787
ChEMBL	CHEMBL567274
IUPHAR	N/A
BindingDB	50303698
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	45.0 nM	PMID19957930	BindingDB,ChEMBL
IC50	378.0 nM	PMID19957930	BindingDB,ChEMBL
Ratio IC50	84.0 -	PMID19957930	ChEMBL

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