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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	CHEMBL240436
Molecular formula	C24H25ClN2O3S
IUPAC name	N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
Molecular weight	456.985
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BDBM50411560 ZINC1103049 MCULE-7212059191 AC1LP8UO N-[(4-chlorophenyl)methyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide MolPort-003-879-355 AKOS000376694 STL137018 N-(4-chlorobenzyl)-N~2~-(2-ethylphenyl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide [ Show all ]
Inchi Key	CBDBSQHFOYMVSD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25ClN2O3S/c1-3-20-6-4-5-7-23(20)27(31(29,30)22-14-8-18(2)9-15-22)17-24(28)26-16-19-10-12-21(25)13-11-19/h4-15H,3,16-17H2,1-2H3,(H,26,28)
PubChem CID	1283333
ChEMBL	CHEMBL240436
IUPHAR	N/A
BindingDB	50411560
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
Ki	794.33 nM	PMID17236765	ChEMBL

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