Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM4734
Substrate
BDBM4702
Meas. Tech.
Neuraminidase Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
6000±n/a nM
Citation
 Chand, P; Kotian, PL; Morris, PE; Bantia, S; Walsh, DA; Babu, YS Synthesis and inhibitory activity of benzoic acid and pyridine derivatives on influenza neuraminidase. Bioorg Med Chem 13:2665-78 (2005) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza A Virus Neuraminidase | NA | NRAM_I75A5 | Neuraminidase A
Type:
Enzyme
Mol. Mass.:
52468.81
Organism:
Influenza A virus (N9)
Description:
P03472
Residue:
470
Sequence:
MNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEATNASQTIINNYYNDTNITQISNTNIQVEERAIRDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGSNRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVNTWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECYRACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
  
Inhibitor
Name:
BDBM4734
Synonyms:
5-Acetylamino-6-[(aminoiminomethyl)amino]pyridine-2-carboxylic acid | 6-carbamimidamido-5-acetamidopyridine-2-carboxylic acid | pyridine deriv. 35
Type:
Small organic molecule
Emp. Form.:
C9H11N5O3
Mol. Mass.:
237.2153
SMILES:
CC(=O)Nc1ccc(nc1N=C(N)N)C(O)=O |w:10.10|
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: