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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	CHEMBL324358
Molecular formula	C15H33N2O5P
IUPAC name	[(2S)-2-amino-3-(dodecylamino)-3-oxopropyl] dihydrogen phosphate
Molecular weight	352.412
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.2
Synonyms	Phosphoric acid mono-((S)-2-amino-2-dodecylcarbamoyl-ethyl) ester; TFA BDBM50133427 N-Dodecyl-O-phosphono-L-serinamide CHEMBL1183918
Inchi Key	BDKXPSCUPFJXEP-AWEZNQCLSA-N
Inchi ID	InChI=1S/C15H33N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-17-15(18)14(16)13-22-23(19,20)21/h14H,2-13,16H2,1H3,(H,17,18)(H2,19,20,21)/t14-/m0/s1
PubChem CID	44342221
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50133427
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	598.4 nM	PMID14505636	BindingDB

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