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Target
Neuraminidase
Ligand
BDBM50078329
Substrate
n/a
Meas. Tech.
ChEMBL_144721 (CHEMBL750942)
IC50
104000±n/a nM
Citation
 Atigadda, VR; Brouillette, WJ; Duarte, F; Ali, SM; Babu, YS; Bantia, S; Chand, P; Chu, N; Montgomery, JA; Walsh, DA; Sudbeck, EA; Finley, J; Luo, M; Air, GM; Laver, GW Potent inhibition of influenza sialidase by a benzoic acid containing a 2-pyrrolidinone substituent. J Med Chem 42:2332-43 (1999) [PubMed]  Article 
Target
Name:
Neuraminidase
Synonyms:
Influenza B Virus Neuraminidase | NA | NRAM_INBLE | Neuraminidase | Neuraminidase B
Type:
Enzyme
Mol. Mass.:
51446.67
Organism:
Influenza B virus (B/Lee/40)
Description:
n/a
Residue:
466
Sequence:
MLPSTVQTLTLLLTSGGVLLSLYVSASLSYLLYSDVLLKFSSTKTTAPTMSLECTNASNAQTVNHSATKEMTFPPPEPEWTYPRLSCQGSTFQKALLISPHRFGEIKGNSAPLIIREPFVACGPKECRHFALTHYAAQPGGYYNGTRKDRNKLRHLVSVKLGKIPTVENSIFHMAAWSGSACHDGREWTYIGVDGPDNDALVKIKYGEAYTDTYHSYAHNILRTQESACNCIGGDCYLMITDGSASGISKCRFLKIREGRIIKEILPTGRVEHTEECTCGFASNKTIECACRDNSYTAKRPFVKLNVETDTAEIRLMCTKTYLDTPRPDDGSIAGPCESNGDKWLGGIKGGFVHQRMASKIGRWYSRTMSKTNRMGMELYVKYDGDPWTDSDALTLSGVMVSIEEPGWYSFGFEIKDKKCDVPCIGIEMVHDGGKDTWHSAATAIYCLMGSGQLLWDTVTGVDMAL
  
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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