Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM4708
Substrate
BDBM4702
Meas. Tech.
Neuraminidase Inhibition Assay
pH
6.5±n/a
Temperature
310.15±n/a K
IC50
5500000±n/a nM
Citation
Chand, P; Babu, YS; Bantia, S; Chu, N; Cole, LB; Kotian, PL; Laver, WG; Montgomery, JA; Pathak, VP; Petty, SL; Shrout, DP; Walsh, DA; Walsh, GM Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. J Med Chem 40:4030-52 (1997) [PubMed] Article
More Info.:
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:
BDBM4708
Synonyms:
4-(Acetylamino)-3-[(hydroxyimino)methyl]benzoic Acid | 4-acetamido-3-[(1E)-(hydroxyimino)methyl]benzoic acid | Benzoic Acid deriv. 119 | Benzoic Acid deriv. 5d
Type:
Small organic molecule
Emp. Form.:
C10H10N2O4
Mol. Mass.:
222.1974
SMILES:
CC(=O)Nc1ccc(cc1CN=O)C(O)=O
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|