Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM50185147
Substrate
n/a
Meas. Tech.
ChEMBL_358032 (CHEMBL853138)
IC50
7600±n/a nM
Citation
 Colandrea, VJ; Legiec, IE; Huo, P; Yan, L; Hale, JJ; Mills, SG; Bergstrom, J; Card, D; Chebret, G; Hajdu, R; Keohane, CA; Milligan, JA; Rosenbach, MJ; Shei, GJ; Mandala, SM 2,5-Disubstituted pyrrolidine carboxylates as potent, orally active sphingosine-1-phosphate (S1P) receptor agonists. Bioorg Med Chem Lett 16:2905-8 (2006) [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:
BDBM50185147
Synonyms:
(+/-)-2-(cis-5-(4-(5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl)phenyl)pyrrolidin-2-yl)acetic acid | CHEMBL426688
Type:
Small organic molecule
Emp. Form.:
C25H26FN3O3
Mol. Mass.:
435.4906
SMILES:
OC(=O)C[C@@H]1CC[C@@H](N1)c1ccc(cc1)-c1noc(n1)-c1ccc(C2CCCC2)c(F)c1
Structure:
Search PDB for entries with ligand similarity: