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Target
Neuraminidase
Ligand
BDBM5202
Substrate
n/a
Meas. Tech.
ChEMBL_462436 (CHEMBL927252)
Ki
30±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:
BDBM5202
Synonyms:
(+/-)-(2R,4S,5R,1 S)-5-(1 -Acetylamino-3 -methyl-butyl)-4-(trans-propen-1-yl)-pyrrolidine-2-carboxylic acid hydrochloric acid salt | (2R,4S,5R)-5-[(1S)-1-acetamido-3-methylbutyl]-4-[(1E)-prop-1-en-1-yl]pyrrolidine-2-carboxylic acid | Pyrrolidine deriv. 30 | Pyrrolidine deriv. 32
Type:
Small organic molecule
Emp. Form.:
C15H26N2O3
Mol. Mass.:
282.3785
SMILES:
[H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
Structure:
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