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GLASS

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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	SMR000023524
Molecular formula	C17H26N2O2
IUPAC name	N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide
Molecular weight	290.407
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.2
Synonyms	BRD-K55535892-001-01-3 IDI1_026221 ChemDiv3_008311 N,N-dicyclohexyl(5-methylisoxazol-3-yl)carboxamide SR-01000105088-4 AKOS001800287 HMS1496J17 N,N-dicyclohexyl-5-methyl-isoxazole-3-carboxamide MCULE-4482829629 SR-01000105088 cid_3245758 N,N-dicyclohexyl-5-methyl-1,2-oxazole-3-carboxamide ST50593938 BDBM37337 HMS2432B18 N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide CHEMBL1369793 MLS000087301 SR-01000105088-1 AC1MMX1E EU-0023704 N,N-dicyclohexyl-5-methyl-3-isoxazolecarboxamide ZINC2497926 [ Show all ]
Inchi Key	ACAPZKCRDPYIJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H26N2O2/c1-13-12-16(18-21-13)17(20)19(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h12,14-15H,2-11H2,1H3
PubChem CID	3245758
ChEMBL	CHEMBL1369793
IUPHAR	N/A
BindingDB	37337
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	PMID24135724	ChEMBL

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