Reaction Details Report a problem with these data
Target
Sphingosine 1-phosphate receptor 3
Ligand
BDBM50361892
Substrate
n/a
Meas. Tech.
ChEMBL_2070263 (CHEMBL4725797)
EC50
1500±n/a nM
Citation
 Pennington, LD; Aquila, BM; Choi, Y; Valiulin, RA; Muegge, I Positional Analogue Scanning: An Effective Strategy for Multiparameter Optimization in Drug Design. J Med Chem 63:8956-8976 (2020) [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:
BDBM50361892
Synonyms:
CHEMBL1938937
Type:
Small organic molecule
Emp. Form.:
C24H17F3N2O2
Mol. Mass.:
422.3992
SMILES:
Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(c2)C(F)(F)F)c(=O)c2ccccc12
Structure:
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