Reaction Details
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Sphingosine 1-phosphate receptor 1
Ligand
BDBM50550213
Substrate
n/a
Meas. Tech.
ChEMBL_2026963 (CHEMBL4681121)
EC50
5.5±n/a nM
Citation
Xiao, HY; Watterson, SH; Langevine, CM; Srivastava, AS; Ko, SS; Zhang, Y; Cherney, RJ; Guo, WW; Gilmore, JL; Sheppeck, JE; Wu, DR; Li, P; Ramasamy, D; Arunachalam, P; Mathur, A; Taylor, TL; Shuster, DJ; McIntyre, KW; Shen, DR; Yarde, M; Cvijic, ME; Marino, AM; Balimane, PV; Yang, Z; Banas, DM; Cornelius, G; D'Arienzo, CJ; Warrack, BM; Lehman-McKeeman, L; Salter-Cid, LM; Xie, J; Barrish, JC; Carter, PH; Dyckman, AJ; Dhar, TG Identification of Tricyclic Agonists of Sphingosine-1-phosphate Receptor 1 (S1P J Med Chem 59:9837-9854 (2016) [PubMed] Article More Info.:
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:
BDBM50550213
Synonyms:
CHEMBL4760972
Type:
Small organic molecule
Emp. Form.:
C26H20F3N3O4
Mol. Mass.:
495.4499
SMILES:
OC(=O)C1CN(Cc2ccc3-c4oc(nc4CCc3c2)-c2onc(c2C(F)(F)F)-c2ccccc2)C1
Structure:
