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Ligand · M9P

M9P · Amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium

M9P, Amino{[(4s,5s)-4-amino-6,6,6-trifluoro-5-hydroxyhexyl]amino}methaniminium (C7 H16 F3 N4 O +1, 229.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
M9P
Formula
C7 H16 F3 N4 O +1
Class
ligand
Structures
2
PDB entries
2

Binding sites

M9P in 2 structures; the first of them:

  • 2M9P · NMR structure of an inhibitor bound dengue NS3 protease · M9P B255 · binds GLU46, ILE97, MET110, HIS112, VAL113, PRO193, GLY194, THR195 and 8 more
  • 2M9Q · NMR structure of an inhibitor bound dengue NS3 protease · M9P B255 · binds GLU47, THR49, LEU50, GLN96, ILE97, HIS112, VAL113, PRO193 and 7 more

Residues it binds most

GLY 2, SER 2, THR 2, TYR 2, VAL 2, ARG 2, GLU 2, HIS 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • BEZ · Benzoic acid

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