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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Sphingosine 1-phosphate receptor 1
Species	Rattus norvegicus (Rat)
Gene	S1pr1
Synonym	CD363 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 Endothelial differentiation G-protein coupled receptor 1 endothelial differentiation G protein-coupled receptor 1 EDG1 (Edg1) Sphingosine 1-phosphate receptor Edg-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	383
Amino acid sequence	MVSSTSIPVVKALRSQVSDYGNYDIIVRHYNYTGKLNIGVEKDHGIKLTSVVFILICCLIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIISCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
UniProt	P48303
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1914263
IUPHAR	N/A
DrugBank	N/A

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	840523-39-9 CHEMBL1951588 30YQ86DS4E BDBM50363937 CS-0777-p 1-Butanone, 1-(5-((3R)-3-amino-3-methyl-4-(phosphonooxy)butyl)-1-methyl-1H-pyrrol-2-yl)-4-(4-methylphenyl)- CS-0777P [ 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.

Experimental Data

Parameter	Value	Reference	Database source
EC50	1.8 nM	PMID24900318, PMID22405291	BindingDB,ChEMBL

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