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Target
Sialidase
Ligand
BDBM5002
Substrate
n/a
Meas. Tech.
ChEMBL_1751542 (CHEMBL4186302)
IC50
619±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:
BDBM5002
Synonyms:
(3R,4R,5S)-5-amino-3-(benzyloxy)-4-acetamidocyclohex-1-ene-1-carboxylic acid | Carbocyclic Analogue 52
Type:
Small organic molecule
Emp. Form.:
C16H20N2O4
Mol. Mass.:
304.341
SMILES:
CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCc1ccccc1)C(O)=O |r,c:8|
Structure:
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