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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Sphingosine 1-phosphate receptor 1
Species	Homo sapiens (Human)
Gene	S1PR1
Synonym	Sphingosine 1-phosphate receptor Edg-1 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 CD363 EDG1 (Edg1) endothelial differentiation G protein-coupled receptor 1 Endothelial differentiation G-protein coupled receptor 1 [ Show all ]
Disease	Immune disorder Macular degeneration Hepatocellular carcinoma; Multiple scierosis Multiple scierosis Primary progressive multiple sclerosis Cutaneous lupus erythematosus Psoriasis Cardiovascular disorder Cancer Autoimmune diabetes Advanced non-small cell lung cancer Acne vulgaris Rheumatoid arthritis Inflammatory disease [ Show all ]
Length	382
Amino acid sequence	MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProt	P21453
Protein Data Bank	3v2w
GPCR-HGmod model	P21453
3D structure model	This structure is from PDB ID 3v2w.
BioLiP	BL0214678
Therapeutic Target Database	T13852
ChEMBL	CHEMBL4333
IUPHAR	275
DrugBank	N/A

Ligand

Name	CHEMBL209566
Molecular formula	C21H23N3O3
IUPAC name	3-[3-methyl-4-[5-[5-(2-methylpropyl)pyridin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid
Molecular weight	365.433
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	SCHEMBL4044277 3-(4-(5-(5-isobutylpyridin-2-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid BDBM50186924
Inchi Key	DNEWRWUHAVFNJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N3O3/c1-13(2)10-16-5-8-18(22-12-16)21-23-20(24-27-21)17-7-4-15(11-14(17)3)6-9-19(25)26/h4-5,7-8,11-13H,6,9-10H2,1-3H3,(H,25,26)
PubChem CID	11624780
ChEMBL	CHEMBL209566
IUPHAR	N/A
BindingDB	50186924
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	3.4 nM	PMID16697189	BindingDB,ChEMBL

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