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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	SMR000019512
Molecular formula	C15H8ClNO3S2
IUPAC name	3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
Molecular weight	349.803
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.9
Synonyms	3-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-benzothiophene 1,1-dioxide CHEMBL1531073 Oprea1_403297 5-chloro-2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzoxazole EU-0080418 3-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide BDBM37054 IDI1_003088 3-[(5-chloro-1,3-benzoxazol-2-yl)thio]benzothiophene 1,1-dioxide ChemDiv2_004373 AC1MG1I5 HMS1381G17 3-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide MLS000043085 cid_2928973 AKOS001670775 HMS2386I22 [ Show all ]
Inchi Key	AFYRYLBMABOAHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H
PubChem CID	2928973
ChEMBL	CHEMBL1531073
IUPHAR	N/A
BindingDB	37054
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	<30000.0 nM	N/A	BindingDB
EC50	6350.0 nM	N/A	BindingDB

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