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Ligand · M76

M76 · N-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

M76, N-(4-fluorobenzyl)-2,3-dihydroxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide (C17 H13 F N2 O4, 328.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
M76
Formula
C17 H13 F N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

M76 in 2 structures; the first of them:

  • 4IKF · PFV intasome with inhibitor MB-76 · M76 D101 · binds ASP128, TYR129, ASP185, TYR212, PRO214, GLN215, GLU221, ARG329 and 3 more
  • 4IKF · Pfv intasome with inhibitor mb-76 · M76 D101 · binds ASP128, TYR129, ASP185, TYR212, PRO214, GLN215, GLU221, ARG329 and 3 more

Residues it binds most

ASP 2, TYR 2, ARG 2, DA 2, DC 2, DG 2, GLN 2, GLU 2, PRO 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • NH4 · Ammonium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • HEZ · Hexane-1,6-diol

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