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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	CHEMBL517282
Molecular formula	C28H20F2N2O4S
IUPAC name	(E)-N-(3,5-difluorophenyl)sulfonyl-3-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)prop-2-enamide
Molecular weight	518.535
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.8
Synonyms	BDBM50248108 N-(3,5-difluorophenylsulfonyl)-3-(1-methyl-4-(naphthalen-2-yloxy)-1H-indol-3-yl)acrylamide
Inchi Key	ALGHFVPGLKKOKU-ZRDIBKRKSA-N
Inchi ID	InChI=1S/C28H20F2N2O4S/c1-32-17-20(10-12-27(33)31-37(34,35)24-15-21(29)14-22(30)16-24)28-25(32)7-4-8-26(28)36-23-11-9-18-5-2-3-6-19(18)13-23/h2-17H,1H3,(H,31,33)/b12-10+
PubChem CID	44564724
ChEMBL	CHEMBL517282
IUPHAR	N/A
BindingDB	50248108
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	44.9 nM	PMID19188065	BindingDB,ChEMBL
IC50	156.7 nM	PMID19188065	BindingDB,ChEMBL
Ratio IC50	3.5 -	PMID19188065	ChEMBL

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