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Ligand · 5MS

5MS · N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide

5MS, N-{2-methyl-5-[(6-phenylpyrimidin-4-yl)amino]phenyl}methanesulfonamide (C18 H18 N4 O2 S, 354.4 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…

Component
5MS
Formula
C18 H18 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

5MS in 2 structures; the first of them:

  • 3EXO · Crystal structure of BACE1 bound to inhibitor · 5MS A453 · binds GLY11, GLN12, GLY13, LEU30, ASP32, PHE47, TYR71, GLN73 and 10 more
  • 3EXO · Crystal structure of BACE1 bound to inhibitor · 5MS A453 · binds GLY11, GLN12, GLY13, LEU30, ASP32, PHE47, TYR71, GLN73 and 10 more

Residues it binds most

GLY 2, PHE 2, GLN 2, ILE 2, THR 2, ASP 2, LEU 2, LYS 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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