Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM474369
Substrate
n/a
EC50
1600±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:
BDBM474369
Synonyms:
(S)-6-benzhydryl-11-hydroxy-3- (hydroxymethyl)-5,6-dihydro-10H- imidazo[1,2-a]pyrido[2,1-c]pyrazin-10-one | US10858366, Example 54 | US11453677, Example 54
Type:
Small organic molecule
Emp. Form.:
C24H21N3O3
Mol. Mass.:
399.4418
SMILES:
OCc1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
Structure:
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