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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	MLS000737077
Molecular formula	C18H12N2O2
IUPAC name	None
Molecular weight	288.306
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	4.4
Synonyms	BDBM47469 SMR000394031 2-oxidanylidene-N-(2-phenylethenylidene)-4-phenylimino-but-3-enamide cid_238775 ZINC1676023 NSC-43308 SR-01000769620 2-oxo-N-(2-phenylethenylidene)-4-phenylimino-3-butenamide HMS2753H22 AC1L61QN NSC43308 2-keto-4-phenylimino-N-styrylidene-but-3-enamide CHEMBL1502358 SR-01000769620-2 2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide [ Show all ]
Inchi Key	DDGJLZWYTNCSEI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
PubChem CID	238775
ChEMBL	CHEMBL1502358
IUPHAR	N/A
BindingDB	47469
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	<49800.0 nM	PubChem BioAssay data set	ChEMBL

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