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Target
Neuraminidase
Ligand
BDBM4950
Substrate
n/a
Meas. Tech.
ChEMBL_200651 (CHEMBL802983)
IC50
67000±n/a nM
Citation
 Taylor, NR; Cleasby, A; Singh, O; Skarzynski, T; Wonacott, AJ; Smith, PW; Sollis, SL; Howes, PD; Cherry, PC; Bethell, R; Colman, P; Varghese, J Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. J Med Chem 41:798-807 (1998) [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:
BDBM4950
Synonyms:
(2R,3R,4S)-4-amino-3-acetamido-2-[(2-phenylethyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | CHEMBL71078 | carboxamide deriv. 4s
Type:
Small organic molecule
Emp. Form.:
C17H21N3O5
Mol. Mass.:
347.3657
SMILES:
[H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCc1ccccc1 |r,c:3|
Structure:
Search PDB for entries with ligand similarity: