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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	CHEMBL389033
Molecular formula	C18H31N2O4P
IUPAC name	[(3R)-3-amino-4-(3-octylanilino)-4-oxobutyl]phosphonic acid
Molecular weight	370.43
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	0.5
Synonyms	SCHEMBL12881976 BDBM50198836 VPC44116 D06GFH VPC 44116, (R)-(3-amino-4-((3-octylphenyl)amino)-4-oxobutyl)phosphonic acid, powder [(3R)-3-amino-4-[(3-octylphenyl)amino]-4-oxobutyl]phosphonic acid GTPL2930 VPC-44116 [3-amino-3-(3-octylphenylcarbamoyl)propyl]-phosphonic acid [ Show all ]
Inchi Key	FMLHSOGKNHADEE-QGZVFWFLSA-N
Inchi ID	InChI=1S/C18H31N2O4P/c1-2-3-4-5-6-7-9-15-10-8-11-16(14-15)20-18(21)17(19)12-13-25(22,23)24/h8,10-11,14,17H,2-7,9,12-13,19H2,1H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
PubChem CID	11545181
ChEMBL	CHEMBL389033
IUPHAR	2930
BindingDB	50198836
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
82001	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
444965	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
82003	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
82002	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
82000	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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