Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50386853
Substrate
n/a
Meas. Tech.
ChEMBL_828467 (CHEMBL2049904)
EC50
1.1±n/a nM
Citation
 Buzard, DJHan, SLopez, LKawasaki, AMoody, JThoresen, LUllman, BLehmann, JCalderon, IZhu, XGharbaoui, TSengupta, DKrishnan, AGao, YEdwards, JBarden, JMorgan, MUsmani, KChen, CSadeque, AThatte, JSolomon, MFu, LWhelan, KLiu, LAl-Shamma, HGatlin, JLe, MXing, CEspinola, SJones, RM Fused tricyclic indoles as S1P1 agonists with robust efficacy in animal models of autoimmune disease. Bioorg Med Chem Lett 22:4404-9 (2012) [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:
BDBM50386853
Synonyms:
CHEMBL2048287
Type:
Small organic molecule
Emp. Form.:
C23H15F3N4O4
Mol. Mass.:
468.3848
SMILES:
OC(=O)CC1CCc2c1[nH]c1ccc(cc21)-c1noc(n1)-c1cc(OC(F)(F)F)cc(c1)C#N
Structure:
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