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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	CHEMBL549909
Molecular formula	C21H21N3O3S
IUPAC name	N-[5-(2,3,5,6-tetramethylphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight	395.477
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BDBM50414535
Inchi Key	ATHZSHXZRMFCBP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21N3O3S/c1-11-9-12(2)14(4)18(13(11)3)20-23-24-21(28-20)22-19(25)15-5-6-16-17(10-15)27-8-7-26-16/h5-6,9-10H,7-8H2,1-4H3,(H,22,24,25)
PubChem CID	45271759
ChEMBL	CHEMBL549909
IUPHAR	N/A
BindingDB	50414535
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	398.11 nM	PMID19487124	BindingDB,ChEMBL

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