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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 D2 receptor
Species	Homo sapiens (Human)
Gene	PTGDR
Synonym	PGD2 receptor DP1 DP1 receptor PTGDR1 prostanoid DP receptor-like Prostanoid DP receptor prostaglandin D2 receptor (DP) PGD receptor [ Show all ]
Disease	Pain Dyslipidaemias Rhinitis Thromboembolism Thrombosis Atopic dermatitis Asthma Allergy Allergic rhinitis [ Show all ]
Length	359
Amino acid sequence	MKSPFYRCQNTTSVEKGNSAVMGGVLFSTGLLGNLLALGLLARSGLGWCSRRPLRPLPSVFYMLVCGLTVTDLLGKCLLSPVVLAAYAQNRSLRVLAPALDNSLCQAFAFFMSFFGLSSTLQLLAMALECWLSLGHPFFYRRHITLRLGALVAPVVSAFSLAFCALPFMGFGKFVQYCPGTWCFIQMVHEEGSLSVLGYSVLYSSLMALLVLATVLCNLGAMRNLYAMHRRLQRHPRSCTRDCAEPRADGREASPQPLEELDHLLLLALMTVLFTMCSLPVIYRAYYGAFKDVKEKNRTSEEAEDLRALRFLSVISIVDPWIFIIFRSPVFRIFFHKIFIRPLRYRSRCSNSTNMESSL
UniProt	Q13258
Protein Data Bank	N/A
GPCR-HGmod model	Q13258
3D structure model	This predicted structure model is from GPCR-EXP Q13258.
BioLiP	N/A
Therapeutic Target Database	T68782
ChEMBL	CHEMBL4427
IUPHAR	338
DrugBank	BE0000296

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	3425AH 9H-Xanthene-2-carboxylicacid, 6-(1-methylethoxy)-9-oxo- AKOS024458601 CHEMBL1317823 HY-10418 NSC_119461 W-5361 6-Isopropoxy-9-oxoxanthene-2-carboxylic acid ACM33458934 BRD-K59339270-001-01-8 D0J9PG KS-0000180F SCHEMBL1163801 9-oxo-6-propan-2-yloxyxanthene-2-carboxylic acid AH6809 CHEBI:95289 HMS3266H17 MolPort-009-018-350 SR-01000597664-2 6-(1-Methylethoxy)-9-oxo-9H-xanthene-2-carboxylic acid AC1L3OV2 AQFFXPQJLZFABJ-UHFFFAOYSA-N CS-1549 J-019193 PDSP1_001548 ZINC3995668 6-Isopropoxy-9-xanthone-2-carboxylic acid C17H14O5 DTXSID80187106 L000101 SR-01000597664 33458-93-4 9H-Xanthene-2-carboxylic acid, 6-(1-methylethoxy)-9-oxo- AH6809, >=98%, crystalline solid or supercooled liquid HMS3648F13 NCGC00024721-01 Tocris-0671 6-isopropoxy-9-oxo-9h-xanthene-2-carboxylic acid AC1Q5UST BDBM85184 CTK1C3251 KB-74545 PDSP2_001532 AH-6809 CAS_33458-93-4 GTPL1896 LS-174420 SR-01000597664-1 [ 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	1400.0 nM	PMID24279689	BindingDB,ChEMBL
Ki	1415.0 nM	PMID10634944	PDSP
Ki	1584.89 nM	PMID10634944	IUPHAR

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