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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Prostaglandin E2 receptor EP2 subtype
Species	Homo sapiens (Human)
Gene	PTGER2
Synonym	PGE receptor EP2 subtype PGE2 receptor EP2 subtype prostaglandin E receptor 2 (subtype EP2), 53kDa Prostanoid EP2 receptor Ptger-ep2 EP2 receptor [ Show all ]
Disease	Osteoporosis Pulmonary arterial hypertension Miscarriage Medical abortion Immune disorder Glaucoma Solid tumours Endometriosis Diabetic foot ulcer Cancer [ Show all ]
Length	358
Amino acid sequence	MGNASNDSQSEDCETRQWLPPGESPAISSVMFSAGVLGNLIALALLARRWRGDVGCSAGRRSSLSLFHVLVTELVFTDLLGTCLISPVVLASYARNQTLVALAPESRACTYFAFAMTFFSLATMLMLFAMALERYLSIGHPYFYQRRVSRSGGLAVLPVIYAVSLLFCSLPLLDYGQYVQYCPGTWCFIRHGRTAYLQLYATLLLLLIVSVLACNFSVILNLIRMHRRSRRSRCGPSLGSGRGGPGARRRGERVSMAEETDHLILLAIMTITFAVCSLPFTIFAYMNETSSRKEKWDLQALRFLSINSIIDPWVFAILRPPVLRLMRSVLCCRISLRTQDATQTSCSTQSDASKQADL
UniProt	P43116
Protein Data Bank	N/A
GPCR-HGmod model	P43116
3D structure model	This predicted structure model is from GPCR-EXP P43116.
BioLiP	N/A
Therapeutic Target Database	T38529
ChEMBL	CHEMBL1881
IUPHAR	341
DrugBank	BE0000368

Ligand

Name	CHEMBL3794585
Molecular formula	C20H22ClNO6S
IUPAC name	2-[(2R,4aR,5S,6R,7aS)-5-[(4-chloro-3-methoxyphenoxy)methyl]-6-hydroxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-2-yl]-1,3-thiazole-4-carboxylic acid
Molecular weight	439.907
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	3.4
Synonyms	BDBM50156536
Inchi Key	BVZWHZAYDDHJBI-NKMGPIEYSA-N
Inchi ID	InChI=1S/C20H22ClNO6S/c1-26-18-6-10(2-4-13(18)21)27-8-12-11-3-5-16(28-17(11)7-15(12)23)19-22-14(9-29-19)20(24)25/h2,4,6,9,11-12,15-17,23H,3,5,7-8H2,1H3,(H,24,25)/t11-,12-,15-,16-,17+/m1/s1
PubChem CID	127026953
ChEMBL	CHEMBL3794585
IUPHAR	N/A
BindingDB	50156536
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<10000.0 nM	PMID27055938	BindingDB,ChEMBL
EC50	1.8 nM	PMID27055938	BindingDB,ChEMBL
Emax	19.0 %	PMID27055938	ChEMBL
Emax	83.0 %	PMID27055938	ChEMBL

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