Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50158336
Substrate
n/a
Meas. Tech.
ChEMBL_2238406 (CHEMBL5152302)
IC50
604±n/a nM
Citation
 Chen, Z; Haider, A; Chen, J; Xiao, Z; Gobbi, L; Honer, M; Grether, U; Arnold, SE; Josephson, L; Liang, SH The Repertoire of Small-Molecule PET Probes for Neuroinflammation Imaging: Challenges and Opportunities beyond TSPO. J Med Chem 64:17656-17689 (2021) [PubMed] 
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:
BDBM50158336
Synonyms:
2-(4-octylphenethyl)-2-aminopropane-1,3-diol | 2-Amino-2-[2-(4-octyl-phenyl)-ethyl]-propane-1,3-diol | 2-amino-2-(4-octylphenethyl)propane-1,3-diol | 2-amino-2-(4-octylphenyl)ethylpropane-1,3-diol | CHEMBL314854 | FINGOLIMOD | FINGOLIMOD HYDROCHLORIDE
Type:
Small organic molecule
Emp. Form.:
C19H33NO2
Mol. Mass.:
307.4708
SMILES:
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
Structure:
Search PDB for entries with ligand similarity: