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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	CHEMBL479664
Molecular formula	C25H22F4N2O4S
IUPAC name	(E)-3-[1-[(3,4-difluorophenyl)methyl]-3a-methyl-2-oxo-3,4,5,6-tetrahydroindol-7-yl]-N-(3,4-difluorophenyl)sulfonylprop-2-enamide
Molecular weight	522.515
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50255124 3-(1-(3,4-difluorobenzyl)-3a-methyl-2-oxo-2,3,3a,4,5,6-hexahydro-1H-indol-7-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
Inchi Key	HQYWCTNHMZXESG-WEVVVXLNSA-N
Inchi ID	InChI=1S/C25H22F4N2O4S/c1-25-10-2-3-16(5-9-22(32)30-36(34,35)17-6-8-19(27)21(29)12-17)24(25)31(23(33)13-25)14-15-4-7-18(26)20(28)11-15/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,30,32)/b9-5+
PubChem CID	44570666
ChEMBL	CHEMBL479664
IUPHAR	N/A
BindingDB	50255124
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2300.0 nM	PMID19121942	BindingDB,ChEMBL

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