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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 EP4 subtype
Species	Homo sapiens (Human)
Gene	PTGER4
Synonym	Prostanoid EP4 receptor PGE2 receptor EP4 subtype PGE receptor EP4 subtype EP4 receptor EP2
Disease	Ulcerative colitis Glaucoma Inflammatory disease Migraine Osteoarthritis Osteoarthritis; Pain Pain Fracture Asthma Acute heart failure [ Show all ]
Length	488
Amino acid sequence	MSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
UniProt	P35408
Protein Data Bank	5ywy, 5yhl
GPCR-HGmod model	P35408
3D structure model	This structure is from PDB ID 5ywy.
BioLiP	BL0434347, BL0434289
Therapeutic Target Database	T18876
ChEMBL	CHEMBL1836
IUPHAR	343
DrugBank	BE0003522

Ligand

Name	Taprenepag
Molecular formula	C24H22N4O5S
IUPAC name	2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
Molecular weight	478.523
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.5
Synonyms	acetic acid, [3-[[[[4-(1H-pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]phenoxy]- CHEMBL2107783 DB12623 PF-4217329 ZINC72266311 API0013863 CP-544326;CP544326;CP 544326 GTPL5816 Taprenepag (USAN/INN) 9CD894KUMJ BDBM50016953 D09968 KS-00000TTV Taprenepagum 2-(3-((((4-(1H-pyrazol-1-yl)phenyl)methyl)(pyridin-3-ylsulfonyl)amino) methyl)phenoxy)acetic acid AK547949 CP 544326 DTXSID00226187 SCHEMBL3318549 BCP17228 CP544326 HY-14899 Taprenepag [USAN:INN] Acetic acid, 2-(3-((((4-(1H-pyrazol-1-yl)phenyl)methyl)(3-pyridinylsulfonyl)amino) methyl)phenoxy)- D0Y3LL PF 04217329 UNII-9CD894KUMJ 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid AKOS030632799 CP-544326 EX-A941 752187-80-7 BCP24232 CS-5590 J-690347 Taprenepag(CP-544326) [ Show all ]
Inchi Key	MFFBXYNKZHTCEY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)
PubChem CID	18376177
ChEMBL	CHEMBL2107783
IUPHAR	5816
BindingDB	50016953
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	<3200.0 nM	PMID24279689	BindingDB,ChEMBL

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