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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	SCHEMBL1187087
Molecular formula	C27H35N5O5
IUPAC name	N-[(2S)-3-[2-ethyl-4-[5-(5-ethyl-6-pyrrolidin-1-ylpyridin-3-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
Molecular weight	509.607
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	3.3
Synonyms	CHEMBL3126610
Inchi Key	ASDGDYJTNXVUCK-QFIPXVFZSA-N
Inchi ID	InChI=1S/C27H35N5O5/c1-4-18-11-20(10-17(3)24(18)36-16-22(34)14-28-23(35)15-33)25-30-27(37-31-25)21-12-19(5-2)26(29-13-21)32-8-6-7-9-32/h10-13,22,33-34H,4-9,14-16H2,1-3H3,(H,28,35)/t22-/m0/s1
PubChem CID	44218903
ChEMBL	CHEMBL3126610
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
13017	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
13018	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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