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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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Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL474502
Molecular formula	C20H18Cl2N2O4S2
IUPAC name	2-[10-(3,4-dichlorophenyl)sulfanyl-1-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-9-yl]acetic acid
Molecular weight	485.394
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM50277444 SCHEMBL992456 2-(10-(3,4-dichlorophenylthio)-1-(methylsulfonyl)-6,7,8,9-tetrahydropyrido[3,4-b]indolizin-9-yl)acetic acid
Inchi Key	AZEWLQWEZLEILO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)20-17-15(6-7-23-20)24-8-2-3-11(9-16(25)26)18(24)19(17)29-12-4-5-13(21)14(22)10-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)
PubChem CID	10028338
ChEMBL	CHEMBL474502
IUPHAR	N/A
BindingDB	50277444
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	1.3 nM	PMID19307115	BindingDB,ChEMBL

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