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Ligand · 3M9

3M9 · 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide

3M9, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide (C24 H22 F N5 O3, 447.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3M9
Formula
C24 H22 F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3M9 in 2 structures; the first of them:

  • 4RE9 · Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290 · 3M9 A1102 · binds HIS108, GLU111, HIS112, PHE115, SER128, SER138, ASN139, ALA140 and 7 more
  • 4RE9 · Crystal structure of human insulin degrading enzyme (ide) in complex with compound 71290 · 3M9 A1102 · binds HIS108, GLU111, HIS112, PHE115, SER128, SER138, ASN139, ALA140 and 7 more

Residues it binds most

SER 4, GLU 4, HIS 4, PHE 4, ALA 4, ARG 4, ASN 4, ILE 4, TYR 4, VAL 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • 1PE · Pentaethylene glycol
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PEG · Di(hydroxyethyl)ether

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