Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50041706
Substrate
n/a
Meas. Tech.
ChEMBL_1446103 (CHEMBL3380330)
EC50
159±n/a nM
Citation
 Buzard, DJKim, SHLopez, LKawasaki, AZhu, XMoody, JThoresen, LCalderon, IUllman, BHan, SLehmann, JGharbaoui, TSengupta, DCalvano, LMontalban, AGMa, YASage, CGao, YSemple, GEdwards, JBarden, JMorgan, MChen, WUsmani, KChen, CSadeque, AChristopher, RJThatte, JFu, LSolomon, MMills, DWhelan, KAl-Shamma, HGatlin, JLe, MGaidarov, IAnthony, TUnett, DJBlackburn, ARueter, JStirn, SBehan, DPJones, RM Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. ACS Med Chem Lett 5:1313-7 (2014) [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:
BDBM50041706
Synonyms:
CHEMBL3358909
Type:
Small organic molecule
Emp. Form.:
C21H17ClF3NO3
Mol. Mass.:
423.813
SMILES:
OC(=O)CC1CCc2c1[nH]c1ccc(OCc3ccc(Cl)c(c3)C(F)(F)F)cc21
Structure:
Search PDB for entries with ligand similarity: