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Target
Neuraminidase
Ligand
BDBM5272
Substrate
BDBM4702
Meas. Tech.
Neuraminidase Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
3000±n/a nM
Citation
 Atigadda, VR; Brouillette, WJ; Duarte, F; Babu, YS; Bantia, S; Chand, P; Chu, N; Montgomery, JA; Walsh, DA; Sudbeck, E; Finley, J; Air, GM; Luo, M; Laver, GW Hydrophobic benzoic acids as inhibitors of influenza neuraminidase. Bioorg Med Chem 7:2487-97 (1999) [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:
BDBM5272
Synonyms:
3-carbamimidamido-4-acetamido-5-(pentan-3-yloxy)benzoic acid | 4-(N-Acetylamino)-5-guanidino-3-(3-pentyloxy)benzoic acid | Benzoic Acid Inhibitor 11
Type:
Small organic molecule
Emp. Form.:
C15H22N4O4
Mol. Mass.:
322.3596
SMILES:
[#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
Structure:
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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:
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