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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	2-Amino-N-ethyl-5-nitrobenzenesulfonanilide
Molecular formula	C14H15N3O4S
IUPAC name	2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide
Molecular weight	321.351
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.7
Synonyms	KB-283203 SR-01000638030-1 2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide AKOS000560183 Benzenesulfonamide, 2-amino-N-ethyl-5-nitro-N-phenyl- CTK8G6286 MLS000703410 ZINC3878596 2-azanyl-N-ethyl-5-nitro-N-phenyl-benzenesulfonamide CCG-48494 HMS2659J20 SCHEMBL11141887 2-Amino-5-nitro-N-ethyl-N-phenylbenzenesulfonamide AC1L26MZ CHEMBL1562579 Maybridge1_002515 SR-01000638030-2 2-Amino-N-ethyl-5-nitro-N-phenylbenzenesulphonamide BAS 00328919 Cambridge id 5211953 DivK1c_001267 MolPort-001-886-250 [(2-amino-5-nitrophenyl)sulfonyl]ethylphenylamine CDS1_000227 HMS548K07 SMR000273874 2-Amino-N-ethyl-5-nitro-N-phenyl-benzenesulfonamide AC1Q6TSJ cid_67001 MCULE-2245518324 ST50336926 BDBM47496 CBDivE_007463 EINECS 204-136-3 NCGC00245071-01 116-34-7 AB00075330-01 [ Show all ]
Inchi Key	AGSWRZMLPKYDNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3
PubChem CID	67001
ChEMBL	CHEMBL1562579
IUPHAR	N/A
BindingDB	47496
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	<49800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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