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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	CHEMBL3933363
Molecular formula	C23H28N4O2
IUPAC name	[2-amino-7-[5-(3-methyl-4-propan-2-yloxyphenyl)-3H-1,2,4-triazol-3-yl]-3,4-dihydro-1H-naphthalen-2-yl]methanol
Molecular weight	392.503
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	SCHEMBL16605614 US9315492, 29 BDBM221928
Inchi Key	YGIQDTVHSAUFID-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28N4O2/c1-14(2)29-20-7-6-17(10-15(20)3)21-25-22(27-26-21)18-5-4-16-8-9-23(24,13-28)12-19(16)11-18/h4-7,10-11,14,22,28H,8-9,12-13,24H2,1-3H3
PubChem CID	117983376
ChEMBL	CHEMBL3933363
IUPHAR	N/A
BindingDB	221928
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	0.4 nM	, None	BindingDB,ChEMBL

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