Reaction Details |
| Report a problem with these data |
Target | Neuraminidase |
---|
Ligand | BDBM4941 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEBML_200650 |
---|
IC50 | 400±n/a nM |
---|
Citation | Smith, PW; Sollis, SL; Howes, PD; Cherry, PC; Cobley, KN; Taylor, H; Whittington, AR; Scicinski, J; Bethell, RC; Taylor, N; Skarzynski, T; Cleasby, A; Singh, O; Wonacott, A; Varghese, J; Colman, P Novel inhibitors of influenza sialidases related to GG167 structure-activity, crystallographic and Molecular dynamics studies with 4H-pyran-2-carboxylic acid 6-carboxamides Bioorg Med Chem Lett6:2931-2936 (1996) Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Neuraminidase |
---|
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: | MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTMSLECTNASNA
QTVNHSATKEMTFPPPEPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFV
ACGPKECRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAAWSGS
ACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQESACNCIGGDCYLMI
TDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEECTCGFASNKTIECACRDNSYTAKR
PFVKLNVETDTAEIRLMCTKTYLDTPRPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASK
IGRWYSRTMSKTNRMGMELYVKYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKC
DVPCIGIEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
|
|
|
BDBM4941 |
---|
n/a |
---|
Name | BDBM4941 |
Synonyms: | (2R,3R,4S)-4-amino-3-acetamido-2-[ethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | carboxamide deriv. 4m |
Type | Small organic molecule |
Emp. Form. | C14H23N3O5 |
Mol. Mass. | 313.3495 |
SMILES | [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC |r,c:3| |
Structure |
|