GL1X · GenesisL1 explorer

Ligand · 4MS

4MS · N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide

4MS, N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide (C24 H25 Cl F N3 O6 S2, 570.0 g/mol), in the MolNFT structures on…

Component
4MS
Formula
C24 H25 Cl F N3 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4MS in 2 structures; the first of them:

  • 3D5M · Crystal structure of HCV NS5B polymerase with a novel pyridazi inhibitor · 4MS A579 · binds PHE193, SER196, PRO197, ARG200, THR287, SER288, ASN291, ASN316 and 15 more
  • 3D5M · Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor · 4MS A579 · binds PHE193, SER196, PRO197, ARG200, THR287, SER288, ASN291, ASN316 and 15 more

Residues it binds most

SER 4, ASN 4, GLY 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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