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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	CHEMBL3260419
Molecular formula	C19H16O4
IUPAC name	5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-carboxylic acid
Molecular weight	308.333
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.3
Synonyms	AKOS003598613 Oprea1_438686 CBMicro_007272 SMSF0012269 BDBM50012550 Oprea1_497289 4-(Biphenyl-4-yloxymethyl)-5-methyl-furan-2-carboxylic acid CHBRWBFWESIPKH-UHFFFAOYSA-N ZINC5360995 AC1LG0LI MolPort-001-016-073 BIM-0007300.P001 SCHEMBL1756460 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-carboxylic acid [ Show all ]
Inchi Key	CHBRWBFWESIPKH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16O4/c1-13-16(11-18(23-13)19(20)21)12-22-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)
PubChem CID	786859
ChEMBL	CHEMBL3260419
IUPHAR	N/A
BindingDB	50012550
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	1000.0 nM	PMID24703233	BindingDB,ChEMBL
Ki	420.0 nM	PMID24703233	BindingDB,ChEMBL
pKb	5.78 -	PMID24703233	ChEMBL

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