Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50363937
Substrate
n/a
Meas. Tech.
ChEMBL_806027 (CHEMBL1960544)
EC50
1.8±n/a nM
Citation
 Nakamura, T; Asano, M; Sekiguchi, Y; Mizuno, Y; Tamaki, K; Nara, F; Kawase, Y; Yabe, Y; Nakai, D; Kamiyama, E; Urasaki-Kaneno, Y; Shimozato, T; Doi-Komuro, H; Kagari, T; Tomisato, W; Inoue, R; Nagasaki, M; Yuita, H; Oguchi-Oshima, K; Kaneko, R; Nishi, T Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. Eur J Med Chem 51:92-8 (2012) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
CD_antigen=CD363 | Edg1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor 1 | S1P receptor Edg-1 | S1P1 | S1PR1_RAT | S1pr1 | Sphingosine 1-phosphate receptor Edg-1
Type:
PROTEIN
Mol. Mass.:
42770.88
Organism:
Rattus norvegicus
Description:
ChEMBL_1463793
Residue:
383
Sequence:
MVSSTSIPVVKALRSQVSDYGNYDIIVRHYNYTGKLNIGVEKDHGIKLTSVVFILICCLIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNSSRSFLLISACWVISLILGGLPIMGWNCISSLSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKAKTCDILYKAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIISCCKCPNGDSAGKFKRPIIPGMEFSRSKSDNSSHPQKDDGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50363937
Synonyms:
CHEMBL1951588
Type:
Small organic molecule
Emp. Form.:
C21H31N2O5P
Mol. Mass.:
422.455
SMILES:
Cc1ccc(CCCC(=O)c2ccc(CC[C@@](C)(N)COP(O)(O)=O)n2C)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: