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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	SCHEMBL2458105
Molecular formula	C27H35NO4S
IUPAC name	N-[3-[2,6-dimethyl-4-[3-oxo-3-[(2S,4R)-3,3,9-trimethyl-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-dien-7-yl]propyl]phenoxy]propyl]-2-hydroxyacetamide
Molecular weight	469.64
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.9
Synonyms	CHEMBL3105483 AALJXEDSLAMLQM-HYBUGGRVSA-N N-(3-{2,6-dimethyl-4-[3-oxo-3-((1aS,5aR)-1,1,2-trimethyl-1,1a,5,5a-tetrahydro-3-thia-cyclopropa[a]pentalen-4-yl)-propyl]-phenoxy}-propyl)-2-hydroxy-acetamide
Inchi Key	AALJXEDSLAMLQM-HYBUGGRVSA-N
Inchi ID	InChI=1S/C27H35NO4S/c1-15-11-18(12-16(2)25(15)32-10-6-9-28-22(31)14-29)7-8-21(30)26-19-13-20-24(27(20,4)5)23(19)17(3)33-26/h11-12,20,24,29H,6-10,13-14H2,1-5H3,(H,28,31)/t20-,24-/m1/s1
PubChem CID	11854857
ChEMBL	CHEMBL3105483
IUPHAR	N/A
BindingDB	N/A
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
303	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
302	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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