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Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50532535
Substrate
n/a
Meas. Tech.
ChEMBL_1923242 (CHEMBL4426198)
IC50
5.8±n/a nM
Citation
 Gilmore, JL; Sheppeck, JE; Watterson, SH; Haque, L; Mukhopadhyay, P; Tebben, AJ; Galella, MA; Shen, DR; Yarde, M; Cvijic, ME; Borowski, V; Gillooly, K; Taylor, T; McIntyre, KW; Warrack, B; Levesque, PC; Li, JP; Cornelius, G; D'Arienzo, C; Marino, A; Balimane, P; Salter-Cid, L; Barrish, JC; Pitts, WJ; Carter, PH; Xie, J; Dyckman, AJ Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1). J Med Chem 59:6248-64 (2016) [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:
BDBM50532535
Synonyms:
CHEMBL4545842
Type:
Small organic molecule
Emp. Form.:
C24H19F3N4O5
Mol. Mass.:
500.4267
SMILES:
OC(CN1CC(C1)C(O)=O)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1
Structure:
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