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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	CHEMBL64072
Molecular formula	C23H33FO5S
IUPAC name	4-[2-[(1R,2R,3R,5R)-5-fluoro-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]cyclopentyl]ethylsulfanyl]butanoic acid
Molecular weight	440.57
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.8
Synonyms	SCHEMBL10210046 4-[2-[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-[3-(methoxymethyl)phenyl]-1-butenyl]-3alpha-hydroxy-5beta-fluorocyclopentane-1alpha-yl]ethylthio]butanoic acid 4-(2-{(1R,2R,3R,5R)-5-Fluoro-3-hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxymethyl-phenyl)-but-1-enyl]-cyclopentyl}-ethylsulfanyl)-butyric acid BDBM50101859
Inchi Key	IZHJCSHFOPUFEW-WJLXUBJISA-N
Inchi ID	InChI=1S/C23H33FO5S/c1-29-15-17-5-2-4-16(12-17)13-18(25)7-8-20-19(21(24)14-22(20)26)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-22,25-26H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-,22-/m1/s1
PubChem CID	9867899
ChEMBL	CHEMBL64072
IUPHAR	N/A
BindingDB	50101859
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
145301	Prostacyclin receptor	P43119	PTGIR	Homo sapiens (Human)	386
145304	Prostaglandin E2 receptor EP1 subtype	P35375	Ptger1	Mus musculus (Mouse)	405
145303	Prostaglandin E2 receptor EP2 subtype	Q62053	Ptger2	Mus musculus (Mouse)	362
145302	Prostaglandin E2 receptor EP3 subtype	P30557	Ptger3	Mus musculus (Mouse)	365
145300	Prostaglandin E2 receptor EP4 subtype	P32240	Ptger4	Mus musculus (Mouse)	513

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