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Ligand · 5IK

5IK · 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl) amino]methyl]phenyl]methoxy]chromen-2-one

5IK, 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl) amino]methyl]phenyl]methoxy]chromen-2-one (C26 H25 N O4, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
5IK
Formula
C26 H25 N O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

5IK in 3 structures; the first of them:

  • 7QAK · Mus Musculus Acetylcholinesterase in complex with… · 5IK A603 · binds TYR72, ASP74, TRP86, GLY120, GLY121, TYR124, TYR133, GLU202 and 13 more
  • 7P4F · Crystal structure of monoamine oxidase B in complex with inhibitor 1 · 5IK A602 · binds TYR60, PRO102, PHE103, HIS115, TRP119, LEU164, PHE168, LEU171 and 10 more
  • 7QAK · Mus musculus acetylcholinesterase in complex with 7-[(4… · 5IK A603 · binds TYR72, TRP86, GLY120, GLY121, TYR124, GLU202, GLU285, TRP286 and 8 more

Residues it binds most

TYR 6, PHE 6, GLY 4, TRP 6, GLU 4, HIS 6, ILE 2, SER 4, ARG 4, LEU 2 (residue and the binding sites it lines).

Found with

  • P15 · 2,5,8,11,14,17-hexaoxanonadecan-19-ol
  • TOE · 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • EDO · 1,2-ethanediol
  • PG0 · 2-(2-methoxyethoxy)ethanol
  • C15 · N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate
  • FAD · Flavin-adenine dinucleotide

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