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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	SMR000033264
Molecular formula	C22H18N4O2
IUPAC name	N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
Molecular weight	370.412
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	N-[4-(5-phenethyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide CHEMBL1385355 HMS1393G17 N-{4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl}nicotinamide MLS002589362 BDBM37084 ChemDiv2_008502 N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-pyridinecarboxamide HMS2286C09 AC1MMSQO N-[4-(5-phenethyl-1,2,4-oxadiazol-3-yl)phenyl]nicotinamide cid_3243836 N-[4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide MLS000047253 AKOS002122257 [ Show all ]
Inchi Key	AGHWKNNZUZXNMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18N4O2/c27-22(18-7-4-14-23-15-18)24-19-11-9-17(10-12-19)21-25-20(28-26-21)13-8-16-5-2-1-3-6-16/h1-7,9-12,14-15H,8,13H2,(H,24,27)
PubChem CID	3243836
ChEMBL	CHEMBL1385355
IUPHAR	N/A
BindingDB	37084
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	<30000.0 nM	N/A	BindingDB
EC50	3396.0 nM	N/A	BindingDB
EC50	3601.0 nM	N/A	BindingDB

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