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Target
Neuraminidase
Ligand
BDBM50078329
Substrate
n/a
Meas. Tech.
ChEMBL_827550 (CHEMBL2051578)
IC50
490±n/a nM
Citation
 Li, Y; Silamkoti, A; Kolavi, G; Mou, L; Gulati, S; Air, GM; Brouillette, WJ Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: the hydrophobic side chain influences type A subtype selectivity. Bioorg Med Chem 20:4582-9 (2012) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
NA | NRAM_I72A2
Type:
PROTEIN
Mol. Mass.:
52146.22
Organism:
Influenza A virus (strain A/Udorn/307/1972 H3N2)
Description:
ChEMBL_882379
Residue:
469
Sequence:
MNPNQKIITIGSVSLTIATICFLMQIAILVTTVTLHFKQYECDSPANNQVMPCEPIIIERNITEIVYLTNTTIEKEICPKLVEYRNWSKPQCKITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTIHDRTPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCVTGYDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTKILFIEEGKIVHISPLSGSAQHVEECSCYPRYPGVRCICRDNWKGSNRPVVDINVKDYSIDSSYVCSGLVGDTPRNNDRSSNSYCRNPNNEKGNHGVKGWAFDDGNDVWMGRTISEDSRSGYETFKVIGGWSTPNSKLQINRQVIVDSDNRSGYSGIFSVEGKSCINRCFYVELIRGREQETRVWWTSNSIVVFCGTSGTYGTGSWPDGADINLMPI
  
Inhibitor
Name:
BDBM50078329
Synonyms:
1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE | 1-[4-carboxy-2-(3-pentylamino)phenyl]-5,5-bis(hydroxymethyl)pyrrolidin-2-one | 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid | CHEMBL307189
Type:
Small organic molecule
Emp. Form.:
C18H26N2O5
Mol. Mass.:
350.4094
SMILES:
CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O
Structure:
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