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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	CHEMBL2164612
Molecular formula	C40H43BF4N2O4
IUPAC name	(E)-3-[2-[(E)-3-[4-[2-[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-2,6-dimethylpyridin-1-ium-1-yl]ethoxy]-3-methoxyphenyl]prop-1-enyl]phenyl]prop-2-enoic acid;tetrafluoroborate
Molecular weight	702.598
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	None
Synonyms	N/A
Inchi Key	AAPXAUBEBZRKLQ-FZYAHIAHSA-O
Inchi ID	InChI=1S/C40H42N2O4.BF4/c1-30-27-34(12-7-6-11-32-17-21-37(22-18-32)41(3)4)28-31(2)42(30)25-26-46-38-23-19-33(29-39(38)45-5)13-10-16-35-14-8-9-15-36(35)20-24-40(43)44;2-1(3,4)5/h6-12,14-24,27-29H,13,25-26H2,1-5H3;/q;-1/p+1/b16-10+,24-20+;
PubChem CID	71458757
ChEMBL	CHEMBL2164612
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Activity	50.0 %	PMID24900547	ChEMBL
Ki	135.0 nM	PMID24900547	ChEMBL

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