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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL64217
Molecular formula	C18H30O5S2
IUPAC name	2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight	390.553
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.7
Synonyms	BDBM50101842 IWJGMNXHWPYORN-XPLDUGHQSA-N (11R,13E,15S)-9-Oxo-11,15-dihydroxy-3,7-dithiaprosta-13-ene-1-oic acid {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-hydroxyoct-1-enyl)-5-oxocyclopentylsulfanyl]propylsulfanyl}acetic acid SCHEMBL967381 {3-[(S)-(R)-3-Hydroxy-2-((1S,2R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentylsulfanyl]-propylsulfanyl}-acetic acid {3-[(1R,2S,3R)-3-Hydroxy-2-((S)-(E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl-sulfanyl]propylsulfanyl}acetic acid [ Show all ]
Inchi Key	IWJGMNXHWPYORN-XPLDUGHQSA-N
Inchi ID	InChI=1S/C18H30O5S2/c1-2-3-4-6-13(19)7-8-14-15(20)11-16(21)18(14)25-10-5-9-24-12-17(22)23/h7-8,13-15,18-20H,2-6,9-12H2,1H3,(H,22,23)/b8-7+/t13-,14-,15+,18+/m0/s1
PubChem CID	9886718
ChEMBL	CHEMBL64217
IUPHAR	N/A
BindingDB	50101842
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
143372	Prostacyclin receptor	P43119	PTGIR	Homo sapiens (Human)	386
143368	Prostaglandin E2 receptor EP1 subtype	P35375	Ptger1	Mus musculus (Mouse)	405
143370	Prostaglandin E2 receptor EP2 subtype	Q62053	Ptger2	Mus musculus (Mouse)	362
143369	Prostaglandin E2 receptor EP3 subtype	P30557	Ptger3	Mus musculus (Mouse)	365
143371	Prostaglandin E2 receptor EP4 subtype	P32240	Ptger4	Mus musculus (Mouse)	513

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