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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	SMR000047194
Molecular formula	C16H9N5O3
IUPAC name	7-(5-methyl-1,2-oxazol-3-yl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Molecular weight	319.28
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	0.6
Synonyms	7-(5-methyl-1,2-oxazol-3-yl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile cid_665938 ZINC2433856 1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile AKOS002239282 MLS000084419 2,5-diketo-1-(5-methylisoxazol-3-yl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile STK515347 879945-78-5 HMS2377L16 1-(5-methyl-1,2-oxazol-3-yl)-2,5-dioxodipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile BDBM30784 MolPort-000-482-445 CHEMBL1362307 Z57904893 1-(5-methyl-1,2-oxazol-3-yl)-2,5-bis(oxidanylidene)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carbonitrile AC1LDEWH MCULE-9369325248 1-(5-methyl-3-isoxazolyl)-2,5-dioxo-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarbonitrile C16H9N5O3 [ Show all ]
Inchi Key	CSWJXYZMNHKYEL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H9N5O3/c1-9-6-13(19-24-9)21-14-11(7-10(8-17)15(21)22)16(23)20-5-3-2-4-12(20)18-14/h2-7H,1H3
PubChem CID	665938
ChEMBL	CHEMBL1362307
IUPHAR	N/A
BindingDB	30784
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	10100.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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