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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	AH 6809
Molecular formula	C17H14O5
IUPAC name	9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid
Molecular weight	298.294
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	C17H14O5 DTXSID80187106 L000101 SR-01000597664 6-Isopropoxy-9-xanthone-2-carboxylic acid 9H-Xanthene-2-carboxylic acid, 6-(1-methylethoxy)-9-oxo- AH6809, >=98%, crystalline solid or supercooled liquid HMS3648F13 NCGC00024721-01 Tocris-0671 33458-93-4 AC1Q5UST BDBM85184 CTK1C3251 KB-74545 PDSP2_001532 6-isopropoxy-9-oxo-9h-xanthene-2-carboxylic acid AH-6809 CAS_33458-93-4 GTPL1896 LS-174420 SR-01000597664-1 9H-Xanthene-2-carboxylicacid, 6-(1-methylethoxy)-9-oxo- AKOS024458601 CHEMBL1317823 HY-10418 NSC_119461 W-5361 3425AH ACM33458934 BRD-K59339270-001-01-8 D0J9PG KS-0000180F SCHEMBL1163801 6-Isopropoxy-9-oxoxanthene-2-carboxylic acid AH6809 CHEBI:95289 HMS3266H17 MolPort-009-018-350 SR-01000597664-2 9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid AC1L3OV2 AQFFXPQJLZFABJ-UHFFFAOYSA-N CS-1549 J-019193 PDSP1_001548 ZINC3995668 6-(1-Methylethoxy)-9-oxo-9H-xanthene-2-carboxylic acid [ Show all ]
Inchi Key	AQFFXPQJLZFABJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14O5/c1-9(2)21-11-4-5-12-15(8-11)22-14-6-3-10(17(19)20)7-13(14)16(12)18/h3-9H,1-2H3,(H,19,20)
PubChem CID	119461
ChEMBL	CHEMBL1317823
IUPHAR	1896
BindingDB	85184
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	<10000.0 nM	PMID10634944	PDSP,BindingDB
Ki	<100000.0 nM	PMID24279689	BindingDB,ChEMBL

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