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Ligand · M3F

M3F · 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one

M3F, 1-methyl-3-(trifluoromethyl)benzo[c][1,8]naphthyridin-6(5H)-one (C14 H9 F3 N2 O, 278.2 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, the residues it…

Component
M3F
Formula
C14 H9 F3 N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

M3F in 2 structures; the first of them:

  • 3MHJ · Human tankyrase 2 - catalytic PARP domain in complex with… · M3F A2 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ILE1051, GLY1052 and 9 more
  • 3MHJ · Human tankyrase 2 - catalytic parp domain in complex with 1-methyl-3… · M3F A2 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ILE1051, GLY1052 and 9 more

Residues it binds most

PHE 4, GLY 4, ILE 4, SER 4, TYR 4, ALA 4, GLU 4, HIS 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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