Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM474373
Substrate
n/a
EC50
3900±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
More Info.:
Target
Name:
Neuraminidase
Synonyms:
n/a
Type:
Protein
Mol. Mass.:
51409.73
Organism:
n/a
Description:
Q1P9S2
Residue:
466
Sequence:
MNPNQKIIAIGSVSLTIATICFLMQIAILATTMTLHFKQNECSNPSNNQVVPCEPIIIEKNIVHLNNTTIEKKICPKVAEYKNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCGLGKCYQFALGQGTTLKNKHSNGTTHDRIPHRTLLMNELGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCVTGDDKNATASIIYDGMLVDSIGSWSKNILRTQESECVCINGTCTVVMTDGSASGKADTRILFIREGKIVHISPLSGSAQHVEECSCYPRYPEVRCVCRDNWKGSNRPVLYINMADYSIESSYVCSGLVGDTPRNDDSSSSSNCKDPNNERGAPGVKGWAFDNGNDIWMGRTIKEDSRSGYETFRVVGGWTTANSKSQINRQVIVDSENWSGYSGIFSVEGKNCINRCFYVELIRGRPQETRVWWTSNSIIVFCGTSGTYGTGSWPDGANINFMPI
Inhibitor
Name:
BDBM474373
Synonyms:
(S)-6-benzhydryl-3- ((cyclohexylamino)methyl)-11-hydroxy-5,6- dihydro-10H-imidazo[1,2-a]pyrido[2,1- c]pyrazin-10-one | US10858366, Example 63
Type:
Small organic molecule
Emp. Form.:
C30H32N4O2
Mol. Mass.:
480.6007
SMILES:
Oc1c2-c3ncc(CNC4CCCCC4)n3C[C@H](C(c3ccccc3)c3ccccc3)n2ccc1=O |r|