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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	SCHEMBL2235117
Molecular formula	C22H27ClN2O2
IUPAC name	1-[[3-[[(1R)-1-(4-chloro-3-methylphenyl)propyl]amino]phenyl]methyl]-3-methylazetidine-3-carboxylic acid
Molecular weight	386.92
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.5
Synonyms	CHEMBL3671022 1-{3-[(R)-1-(4-Chloro-3-methyl-phenyl)-propylamino]-benzyl}-3-methyl-azetidine-3-carboxylic acid BDBM127510 US8791100, 8 ANHBAXBXTSPASS-HXUWFJFHSA-N
Inchi Key	ANHBAXBXTSPASS-HXUWFJFHSA-N
Inchi ID	InChI=1S/C22H27ClN2O2/c1-4-20(17-8-9-19(23)15(2)10-17)24-18-7-5-6-16(11-18)12-25-13-22(3,14-25)21(26)27/h5-11,20,24H,4,12-14H2,1-3H3,(H,26,27)/t20-/m1/s1
PubChem CID	53340432
ChEMBL	CHEMBL3671022
IUPHAR	N/A
BindingDB	127510
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	1.5 nM	, None	BindingDB,ChEMBL

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