Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM44985
Substrate
n/a
Meas. Tech.
Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1)
EC50
1180±n/a nM
Citation
 PubChem, PC Fluorescence-based counterscreen assay for S1P4 agonists: Cell-based dose response high throughput screening assay to identify agonists of the Sphingosine 1-Phosphate Receptor 1 (S1P1) PubChem Bioassay (2010)[AID] 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
CHEDG1 | EDG1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor | S1P1 | S1PR1 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1) | Sphingosine 1-phosphate receptor Edg-1
Type:
Enzyme
Mol. Mass.:
42836.02
Organism:
Homo sapiens (Human)
Description:
P21453
Residue:
382
Sequence:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM44985
Synonyms:
(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methyl-2-methylimino-4-thiazolidinone | (5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methyl-2-methylimino-thiazolidin-4-one | (5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one | (5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one | 5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one | MLS000545134 | SMR000160424 | cid_1776080
Type:
Small organic molecule
Emp. Form.:
C18H18FN3OS
Mol. Mass.:
343.418
SMILES:
C\N=C1\S\C(=C/c2cc(C)n(c2C)-c2ccccc2F)C(=O)N1C |(3.84,6.9,;3.84,5.36,;5.17,4.59,;5.33,3.06,;6.84,2.74,;7.47,1.33,;6.56,.09,;5.02,.09,;4.54,-1.38,;3.08,-1.85,;5.79,-2.28,;7.04,-1.38,;8.5,-1.85,;5.79,-3.82,;7.12,-4.59,;7.12,-6.13,;5.79,-6.9,;4.46,-6.13,;4.46,-4.59,;3.12,-3.82,;7.61,4.07,;9.14,4.24,;6.58,5.22,;6.9,6.73,)|
Structure:
Search PDB for entries with ligand similarity: