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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	CHEMBL119382
Molecular formula	C18H30N5O3P
IUPAC name	3-[[4-(2-heptyltetrazol-5-yl)phenyl]methylamino]propylphosphonic acid
Molecular weight	395.444
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	0.2
Synonyms	BDBM50148436 {3-[4-(2-Heptyl-2H-tetrazol-5-yl)-benzylamino]-propyl}-phosphonic acid
Inchi Key	JNAQEIPNFVZKSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H30N5O3P/c1-2-3-4-5-6-13-23-21-18(20-22-23)17-10-8-16(9-11-17)15-19-12-7-14-27(24,25)26/h8-11,19H,2-7,12-15H2,1H3,(H2,24,25,26)
PubChem CID	44344298
ChEMBL	CHEMBL119382
IUPHAR	N/A
BindingDB	50148436
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.5 nM	PMID15177461	BindingDB
IC50	0.5 nM	PMID15177461	ChEMBL

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