Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM50521813
Substrate
n/a
Meas. Tech.
ChEMBL_1885431 (CHEMBL4387013)
IC50
>1000±n/a nM
Citation
 Luo, Z; Liu, H; Klein, RS; Tu, Z Design, synthesis, and in vitro bioactivity evaluation of fluorine-containing analogues for sphingosine-1-phosphate 2 receptor. Bioorg Med Chem 27:3619-3631 (2019) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 3
Synonyms:
C9orf108 | C9orf47 | EDG3 | Endothelial differentiation G-protein coupled receptor 3 | S1P receptor 3 | S1P receptor Edg-3 | S1P3 | S1PR3 | S1PR3_HUMAN | Sphingosine 1-phosphate receptor | Sphingosine 1-phosphate receptor 3 (S1P3) | Sphingosine 1-phosphate receptor Edg-3
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
42278.13
Organism:
Homo sapiens (Human)
Description:
Q99500
Residue:
378
Sequence:
MATALPPRLQPVRGNETLREHYQYVGKLAGRLKEASEGSTLTTVLFLVICSFIVLENLMVLIAIWKNNKFHNRMYFFIGNLALCDLLAGIAYKVNILMSGKKTFSLSPTVWFLREGSMFVALGASTCSLLAIAIERHLTMIKMRPYDANKRHRVFLLIGMCWLIAFTLGALPILGWNCLHNLPDCSTILPLYSKKYIAFCISIFTAILVTIVILYARIYFLVKSSSRKVANHNNSERSMALLRTVVIVVSVFIACWSPLFILFLIDVACRVQACPILFKAQWFIVLAVLNSAMNPVIYTLASKEMRRAFFRLVCNCLVRGRGARASPIQPALDPSRSKSSSSNNSSHSPKVKEDLPHTAPSSCIMDKNAALQNGIFCN
  
Inhibitor
Name:
BDBM50521813
Synonyms:
CHEMBL4565410
Type:
Small organic molecule
Emp. Form.:
C33H39F2N3O5
Mol. Mass.:
595.6767
SMILES:
CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccc(F)cc2)cc(Oc2ccc(cc2)C(=O)NCCF)c1
Structure:
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