Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50335503
Substrate
n/a
Meas. Tech.
ChEMBL_702151 (CHEMBL1655488)
EC50
1600±n/a nM
Citation
 Cee, VJ; Frohn, M; Lanman, BA; Golden, J; Muller, K; Neira, S; Pickrell, A; Arnett, H; Buys, J; Gore, A; Fiorino, M; Horner, M; Itano, A; Lee, MR; McElvain, M; Middleton, S; Schrag, M; Rivenzon-Segal, D; Vargas, HM; Xu, H; Xu, Y; Zhang, X; Siu, J; Wong, M Discovery of AMG 369, a Thiazolo[5,4-b]pyridine Agonist of S1P1 and S1P5 ACS Med Chem Lett 2:107-112 (2011) [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:
BDBM50335503
Synonyms:
1-(4-(6-benzylthiazolo[4,5-b]pyridin-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid | CHEMBL1651855
Type:
Small organic molecule
Emp. Form.:
C24H20FN3O2S
Mol. Mass.:
433.498
SMILES:
OC(=O)C1CN(Cc2ccc(-c3nc4ncc(Cc5ccccc5)cc4s3)c(F)c2)C1
Structure:
Search PDB for entries with ligand similarity: