Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50250636
Substrate
n/a
Meas. Tech.
ChEMBL_1681995 (CHEMBL4032272)
EC50
1±n/a nM
Citation
 Kurata, H; Kusumi, K; Otsuki, K; Suzuki, R; Kurono, M; Komiya, T; Hagiya, H; Mizuno, H; Shioya, H; Ono, T; Takada, Y; Maeda, T; Matsunaga, N; Kondo, T; Tominaga, S; Nunoya, KI; Kiyoshi, H; Komeno, M; Nakade, S; Habashita, H Discovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1P J Med Chem 60:9508-9530 (2017) [PubMed]  Article 
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:
BDBM50250636
Synonyms:
CHEMBL4085321
Type:
Small organic molecule
Emp. Form.:
C28H35NO4
Mol. Mass.:
449.5818
SMILES:
COc1cc(CC(C)C)ccc1COc1ccc2C(C)=C(CN3CC(C3)C(O)=O)CCc2c1 |t:20|
Structure:
Search PDB for entries with ligand similarity: