Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM474370
Substrate
n/a
EC50
820±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:
BDBM474370
Synonyms:
(S)-6-benzhydryl-11-hydroxy-3- (trifluoromethyl)-5,6-dihydro-10H- imidazo[1,2-a]pyrido[2,1-c]pyrazin-10-one | US10858366, Example 58
Type:
Small organic molecule
Emp. Form.:
C24H18F3N3O2
Mol. Mass.:
437.4138
SMILES:
Oc1c2-c3ncc(n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O)C(F)(F)F |r|
Structure:
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