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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	MK-2894
Molecular formula	C25H22F3NO3S
IUPAC name	4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid
Molecular weight	473.51
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.9
Synonyms	CS-0679 MK2894 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}-carbonyl)amino]cyclopropyl}benzoic Acid HY-10413 SCHEMBL2351863 1006036-87-8 MK 2894;MK2894 4-[1-[[2,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]thiophene-3-carbonyl]amino]cyclopropyl]benzoic acid 4-{1-[({2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid DTXSID60648063 NCGC00379051-02 AKOS030526193 KB-78897 W-5722 3857AH CHEMBL597997 4-{1-[(2,5-Dimethyl-4-{[4-(trifluoromethyl)phenyl]methyl}thiophene-3-carbonyl)amino]cyclopropyl}benzoic acid GTPL4041 QJZQFVRFJCGDKF-UHFFFAOYSA-N BDBM50308131 MK 2894 ZINC43206034 4-[1-[[2,5-Dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl]carbonylamino]cyclopropyl]benzoic acid [ Show all ]
Inchi Key	QJZQFVRFJCGDKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H22F3NO3S/c1-14-20(13-16-3-7-19(8-4-16)25(26,27)28)21(15(2)33-14)22(30)29-24(11-12-24)18-9-5-17(6-10-18)23(31)32/h3-10H,11-13H2,1-2H3,(H,29,30)(H,31,32)
PubChem CID	24952929
ChEMBL	CHEMBL597997
IUPHAR	4041
BindingDB	50308131
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.5 nM	PMID20163116	BindingDB,ChEMBL
IC50	2.9 nM	PMID20163116	BindingDB,ChEMBL
IC50	11.0 nM	PMID20163116	BindingDB,ChEMBL
Ki	0.5 nM	, None	BindingDB,ChEMBL
Ki	0.56 nM	PMID20163116	BindingDB
Ki	0.56 nM	PMID10634944, PMID20163116, PMID18287210	IUPHAR
Ki	0.56 nM	PMID20163116	ChEMBL
Ki	0.97 nM	PMID20163116	ChEMBL
Ki	0.97 nM	PMID20163116	BindingDB

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