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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	BAS 09529732
Molecular formula	C16H17N3O3
IUPAC name	1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
Molecular weight	299.33
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.2
Synonyms	1-(5-Phenyl-isoxazole-3-carbonyl)-piperidine-4-carboxylic acid amide MCULE-1560154433 AKOS000559747 SR-01000367787-1 CHEMBL1565208 ZINC815054 1-[(5-phenylisoxazol-3-yl)carbonyl]piperidine-4-carboxamide MolPort-001-604-588 SR-01000367787-2 1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide HMS1694G02 AC1LM099 SR-01000367787 ST063306 [ Show all ]
Inchi Key	AZIDAIPMLWSEPN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17N3O3/c17-15(20)12-6-8-19(9-7-12)16(21)13-10-14(22-18-13)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H2,17,20)
PubChem CID	1093757
ChEMBL	CHEMBL1565208
IUPHAR	N/A
BindingDB	N/A
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	<50000.0 nM	PubChem BioAssay data set	ChEMBL

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