Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM5278
Substrate
BDBM4702
Meas. Tech.
Neuraminidase Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
1000000±n/a nM
Citation
 Brouillette, WJ; Atigadda, VR; Luo, M; Air, GM; Babu, YS; Bantia, S Design of benzoic acid inhibitors of influenza neuraminidase containing a cyclic substitution for the N-acetyl grouping. Bioorg Med Chem Lett 9:1901-6 (1999) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza B Virus Neuraminidase | NA | NRAM_INBMF | Neuraminidase B
Type:
Enzyme
Mol. Mass.:
51394.62
Organism:
Influenza B virus (B/Memphis/3/89)
Description:
n/a
Residue:
465
Sequence:
MLPSTIQTLTLFLTSGGVLLSLYVSASLSYLLYSDILLRFSSKITAPTMTLDCANASNVQAVNRSATKEMTFLLPEPEWTYPRLSCQGSTFQKALLISPHRFGEARGNSAPLIIREPFIACGPKECKHFALTHYAAQPGGYYNGTREDRNKLRHLISVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDSNALIKIKYGEAYTDTYHSYANNILRTQESACNCIGGDCYLMITDGSASGISECRFLKIREGRIIKEIFPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTETYLDTPRPDDGSITGPCESDGDKGRGGIKGGFVHQRMASKIGRWYSRTMSKTERMGMELYVKYDGDPWTDSDALAPSGVMVSMKEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKKTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
  
Inhibitor
Name:
BDBM5278
Synonyms:
3-carbamimidamido-4-(2-oxopyrrolidin-1-yl)benzoic acid | Benzoic Acid Analog 7 | CHEMBL292232
Type:
Small organic molecule
Emp. Form.:
C12H14N4O3
Mol. Mass.:
262.2646
SMILES:
NC(=N)Nc1cc(ccc1N1CCCC1=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM4702
Synonyms:
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | 2 -(4-methylumbelliferyl)-alpha-D-acetylneuraminic acid | neuraminidase substrate
Type:
Small organic molecule
Emp. Form.:
C21H25NO11
Mol. Mass.:
467.4233
SMILES:
CC(=O)N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: