Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM4994
Substrate
n/a
Meas. Tech.
ChEMBL_462436 (CHEMBL927252)
Ki
1.1±n/a nM
Citation
 Krueger, AC; Xu, Y; Kati, WM; Kempf, DJ; Maring, CJ; McDaniel, KF; Molla, A; Montgomery, D; Kohlbrenner, WE Synthesis of potent pyrrolidine influenza neuraminidase inhibitors. Bioorg Med Chem Lett 18:1692-5 (2008) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza B Virus Neuraminidase | NA | NRAM_INBLE | Neuraminidase | Neuraminidase B
Type:
Enzyme
Mol. Mass.:
51446.67
Organism:
Influenza B virus (B/Lee/40)
Description:
n/a
Residue:
466
Sequence:
MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTMSLECTNASNAQTVNHSATKEMTFPPPEPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFVACGPKECRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTKTYLDTPRPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASKIGRWYSRTMSKTNRMGMELYVKYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
  
Inhibitor
Name:
BDBM4994
Synonyms:
(3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | CHEMBL674 | GS4071 | Oseltamivir carboxylate
Type:
Small organic molecule
Emp. Form.:
C14H24N2O4
Mol. Mass.:
284.3514
SMILES:
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
Structure:
Search PDB for entries with ligand similarity: