Reaction Details Report a problem with these data
Target
Neuraminidase
Ligand
BDBM474377
Substrate
n/a
EC50
14000±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:
BDBM474377
Synonyms:
(S)-6-benzhydryl-11-hydroxy-N-methyl-10- oxo-5,6-dihydro-10H-imidazo[1,2- a]pyrido[2,1-c]pyrazine-3-carboxamide | US10858366, Example 69
Type:
Small organic molecule
Emp. Form.:
C25H22N4O3
Mol. Mass.:
426.4672
SMILES:
CNC(=O)c1cnc2-c3c(O)c(=O)ccn3[C@H](Cn12)C(c1ccccc1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: