GL1X · GenesisL1 explorer

Ligand · H5S

H5S · (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one

H5S, (5S)-5-tert-butyl-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-3-[8-(methylsulfonyl)-1,1-dioxido-6,7,8,9-tetrahydroisothiazolo[4,5-h]isoquinolin-3-yl]-1,5-dihydro-2H-pyrrol-2-one (C27 H30 F N3 O6 S2, 575.7 g/mol), in the MolNFT structures on…

Component
H5S
Formula
C27 H30 F N3 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

H5S in 2 structures; the first of them:

  • 3H5S · Hepatitis C virus polymerase NS5B with saccharin inhibitor · H5S A571 · binds PHE193, PRO197, ARG200, THR287, SER288, ASN291, ASN316, GLY317 and 14 more
  • 3H5S · Hepatitis C virus polymerase NS5B with saccharin inhibitor · H5S A571 · binds PHE193, PRO197, ARG200, THR287, SER288, ASN291, ASN316, GLY317 and 14 more

Residues it binds most

ASN 4, GLY 4, SER 4, ASP 4, TYR 4, ARG 4, CYS 4, GLN 4, ILE 4, LEU 4 (residue and the binding sites it lines).

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