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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	UNII-30YQ86DS4E
Molecular formula	C21H31N2O5P
IUPAC name	[(2R)-2-amino-2-methyl-4-[1-methyl-5-[4-(4-methylphenyl)butanoyl]pyrrol-2-yl]butyl] dihydrogen phosphate
Molecular weight	422.462
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-0.8
Synonyms	1-Butanone, 1-(5-((3R)-3-amino-3-methyl-4-(phosphonooxy)butyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)- CS-0777P 840523-39-9 CHEMBL1951588 30YQ86DS4E BDBM50363937 CS-0777-p [ Show all ]
Inchi Key	SFFJDCSCTWIGSG-OAQYLSRUSA-N
Inchi ID	InChI=1S/C21H31N2O5P/c1-16-7-9-17(10-8-16)5-4-6-20(24)19-12-11-18(23(19)3)13-14-21(2,22)15-28-29(25,26)27/h7-12H,4-6,13-15,22H2,1-3H3,(H2,25,26,27)/t21-/m1/s1
PubChem CID	11676168
ChEMBL	CHEMBL1951588
IUPHAR	N/A
BindingDB	50363937
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
312777	Sphingosine 1-phosphate receptor 1	P48303	S1pr1	Rattus norvegicus (Rat)	383
312779	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
312778	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
312780	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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