Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM474371
Substrate
n/a
EC50
1200±n/a nM
Citation
 Jain, R; Koester, DC; Manning, JR; Sutton, JC; Taft, BR; Wan, L; Zhao, Q Tricyclic compounds useful to treat orthomyxovirus infections US Patent  US10858366 Publication Date 12/8/2020 
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
51409.73
Organism:
n/a
Description:
Q1P9S2
Residue:
466
Sequence:
MNPNQKIIAIGSVSLTIATICFLMQIAILATTMTLHFKQNECSNPSNNQVVPCEPIIIEKNIVHLNNTTIEKKICPKVAEYKNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCGLGKCYQFALGQGTTLKNKHSNGTTHDRIPHRTLLMNELGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCVTGDDKNATASIIYDGMLVDSIGSWSKNILRTQESECVCINGTCTVVMTDGSASGKADTRILFIREGKIVHISPLSGSAQHVEECSCYPRYPEVRCVCRDNWKGSNRPVLYINMADYSIESSYVCSGLVGDTPRNDDSSSSSNCKDPNNERGAPGVKGWAFDNGNDIWMGRTIKEDSRSGYETFRVVGGWTTANSKSQINRQVIVDSENWSGYSGIFSVEGKNCINRCFYVELIRGRPQETRVWWTSNSIIVFCGTSGTYGTGSWPDGANINFMPI
 
Inhibitor
Name:
BDBM474371
Synonyms:
(S)-6-benzhydryl-11-hydroxy-10-oxo-5,6- dihydro-10H-imidazo[1,2-a]pyrido[2,1- c]pyrazine-3-carbonitrile | US10858366, Example 59
Type:
Small organic molecule
Emp. Form.:
C24H18N4O2
Mol. Mass.:
394.4253
SMILES:
Oc1c2-c3ncc(C#N)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|
Structure:
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