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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	CHEMBL3586333
Molecular formula	C22H21ClN2O2
IUPAC name	7-(3-chlorophenyl)-9-methoxy-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
Molecular weight	380.872
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BDBM50092732
Inchi Key	BMLFWVCUWBTTCC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21ClN2O2/c1-26-21-12-18(17-5-2-6-20(23)11-17)10-19-15-25(8-9-27-22(19)21)14-16-4-3-7-24-13-16/h2-7,10-13H,8-9,14-15H2,1H3
PubChem CID	122180270
ChEMBL	CHEMBL3586333
IUPHAR	N/A
BindingDB	50092732
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	700.0 nM	PMID26061158	BindingDB,ChEMBL
IC50	1900.0 nM	PMID26061158	BindingDB,ChEMBL

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