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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	MLS000094175
Molecular formula	C17H18N2O2S3
IUPAC name	5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide
Molecular weight	378.523
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.4
Synonyms	AKOS024596757 MCULE-6758329825 ZINC4101471 5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-sulfonamide MolPort-003-049-691 863511-76-6 F0685-0089 SR-01000138889 BDBM37052 5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamide CHEMBL1411550 REGID_for_CID_3239280 AC1MMIHB HMS2501O10 SR-01000138889-1 5-ethyl-N-(2-(2-phenylthiazol-4-yl)ethyl)thiophene-2-sulfonamide CHEBI:114541 MLS000102706 5-ethyl-N-[2-(2-phenylthiazol-4-yl)ethyl]thiophene-2-sulfonamide cid_3239280 SMR000016883 [ Show all ]
Inchi Key	AIJBMSNYDXEQQX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S3/c1-2-15-8-9-16(23-15)24(20,21)18-11-10-14-12-22-17(19-14)13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3
PubChem CID	3239280
ChEMBL	CHEMBL1411550
IUPHAR	N/A
BindingDB	37052
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	8243.0 nM	N/A	BindingDB
EC50	8691.0 nM	N/A	BindingDB
EC50	33400.0 nM	N/A	BindingDB

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