Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50336942
Substrate
n/a
Meas. Tech.
ChEMBL_718609 (CHEMBL1680635)
EC50
54±n/a nM
Citation
 Lanman, BA; Cee, VJ; Cheruku, SR; Frohn, M; Golden, J; Lin, J; Lobera, M; Marantz, Y; Muller, KM; Neira, SC; Pickrell, AJ; Rivenzon-Segal, D; Schutz, N; Sharadendu, A; Yu, X; Zhang, Z; Buys, J; Fiorino, M; Gore, A; Horner, M; Itano, A; McElvain, M; Middleton, S; Schrag, M; Vargas, HM; Xu, H; Xu, Y; Zhang, X; Siu, J Discovery of a Potent, S1P3-Sparing Benzothiazole Agonist of Sphingosine-1-Phosphate Receptor 1 (S1P1) ACS Med Chem Lett 2:102-106 (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:
BDBM50336942
Synonyms:
1-(3-Fluoro-4-(5-(3-methylbenzyl)benzo[d]thiazol-2-yl)benzyl)azetidine-3-carboxylic acid | CHEMBL1672565
Type:
Small organic molecule
Emp. Form.:
C26H23FN2O2S
Mol. Mass.:
446.536
SMILES:
Cc1cccc(Cc2ccc3sc(nc3c2)-c2ccc(CN3CC(C3)C(O)=O)cc2F)c1
Structure:
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