Reaction Details Report a problem with these data
Target
Envelope glycoprotein
Ligand
BDBM58492
Substrate
n/a
Meas. Tech.
ChEMBL_1987740 (CHEMBL4621287)
EC50
63±n/a nM
Citation
 Gaisina, IN; Peet, NP; Wong, L; Schafer, AM; Cheng, H; Anantpadma, M; Davey, RA; Thatcher, GRJ; Rong, L Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections. J Med Chem 63:7211-7225 (2020) [PubMed]  Article 
Target
Name:
Envelope glycoprotein
Synonyms:
Envelope glycoprotein | GP1 | GP1,2 | GP1,2-delta | GP2 | Shed GP | VGP_EBOZM | GP
Type:
PROTEIN
Mol. Mass.:
74464.56
Organism:
ZEBOV
Description:
ChEMBL_117434
Residue:
676
Sequence:
MGVTGILQLPRDRFKRTSFFLWVIILFQRTFSIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRSNTTGKLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVSNGAKNISGQSPARTSSDPGTNTTTEDHKIMASENSSAMVQVHSQGREAAVSHLTTLATISTSPQSLTTKPGPDNSTHNTPVYKLDISEATQVEQHHRRTDNDSTASDTPSATTAAGPPKAENTNTSKSTDFLDPATTTSPQNHSETAGNNNTHHQDTGEESASSGKLGLITNTIAGVAGLITGGRRTRREAIVNAQPKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRTFSILNRKAIDFLLQRWGGTCHILGPDCCIEPHDWTKNITDKIDQIIHDFVDKTLPDQGDNDNWWTGWRQWIPAGIGVTGVIIAVIALFCICKFVF
  
Inhibitor
Name:
BDBM58492
Synonyms:
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid | 2-[4-[(Z)-4-chloranyl-1,2-diphenyl-but-1-enyl]phenoxy]-N,N-dimethyl-ethanamine;2-oxidanylpropane-1,2,3-tricarboxylic acid | MLS001424189 | SMR000469213 | TOREMIFENE CITRATE | cid_3005572 | TOREMIFENE | 2-[4-[(Z)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]ethyl-dimethyl-amine;citric acid | med.21724, Compound Toremifene
Type:
Small organic molecule
Emp. Form.:
TBD
Mol. Mass.:
TBD
SMILES:
TBD
Structure:
Search PDB for entries with ligand similarity: