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Target
Sialidase
Ligand
BDBM5000
Substrate
n/a
Meas. Tech.
ChEMBL_1751542 (CHEMBL4186302)
IC50
1.000000±n/a nM
Citation
 Wang, Z; Cheng, LP; Zhang, XH; Pang, W; Li, L; Zhao, JL Design, synthesis and biological evaluation of novel oseltamivir derivatives as potent neuraminidase inhibitors. Bioorg Med Chem Lett 27:5429-5435 (2017) [PubMed]  Article 
Target
Name:
Sialidase
Synonyms:
NANH_CLOPF | nanH
Type:
PROTEIN
Mol. Mass.:
42808.79
Organism:
Clostridium perfringens
Description:
ChEMBL_991336
Residue:
382
Sequence:
MCNKNNTFEKNLDISHKPEPLILFNKDNNIWNSKYFRIPNIQLLNDGTILTFSDIRYNGPDDHAYIDIASARSTDFGKTWSYNIAMKNNRIDSTYSRVMDSTTVITNTGRIILIAGSWNTNGNWAMTTSTRRSDWSVQMIYSDDNGLTWSNKIDLTKDSSKVKNQPSNTIGWLGGVGSGIVMDDGTIVMPAQISLRENNENNYYSLIIYSKDNGETWTMGNKVPNSNTSENMVIELDGALIMSTRYDYSGYRAAYISHDLGTTWEIYEPLNGKILTGKGSGCQGSFIKATTSNGHRIGLISAPKNTKGEYIRDNIAVYMIDFDDLSKGVQEICIPYPEDGNKLGGGYSCLSFKNNHLGIVYEANGNIEYQDLTPYYSLINKQ
  
Inhibitor
Name:
BDBM5000
Synonyms:
(3R,4R,5S)-4-Acetamido-5-amino-3-(1(S)-(2-cyclohexylethyl)propoxy)-1-cyclohexene-1-carboxylic Acid | (3R,4R,5S)-5-amino-3-{[(3S)-1-cyclohexylpentan-3-yl]oxy}-4-acetamidocyclohex-1-ene-1-carboxylic acid | Carbocyclic Analogue 50
Type:
Small organic molecule
Emp. Form.:
C20H34N2O4
Mol. Mass.:
366.495
SMILES:
CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
Structure:
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