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Ligand · D84

D84 · 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one

D84, 5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one (C31 H26 F2 N4 O4, 556.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
D84
Formula
C31 H26 F2 N4 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

D84 in 2 structures; the first of them:

  • 7KPA · Asymmetric htnf-alpha · D84 C201 · binds LYS11, LEU57, TYR59, SER60, TYR119, LEU120, GLY121, GLY122 and 19 more
  • 7KPB · Mtnf-alpha HTNFR1 complex · D84 C201 · binds LYS11, LEU57, TYR59, SER60, TYR119, LEU120, GLY121, GLY122 and 18 more

Residues it binds most

TYR 2, GLY 2, LEU 2, SER 2, ILE 2, GLN 2, LYS 2, VAL 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GOL · Glycerol

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