GL1X · GenesisL1 explorer

Ligand · VQG

VQG · 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1, 2,3-triazol-4-yl}ethyl]benzamide

VQG, 3,4-difluoro-N-[(1S)-1-{1-[(2R)-4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]-1H-1, 2,3-triazol-4-yl}ethyl]benzamide (C25 H27 F2 N5 O3, 483.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
VQG
Formula
C25 H27 F2 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

VQG in 2 structures; the first of them:

  • 7K1E · Crystal structure of human insulin degrading enzyme (IDE) in complex with compound… · VQG A1102 · binds HIS108, GLU111, HIS112, PHE115, LEU116, SER128, SER132, SER138 and 11 more
  • 7K1E · Crystal structure of human insulin degrading enzyme (ide) in complex with compound… · VQG A1102 · binds HIS108, GLU111, HIS112, PHE115, LEU116, SER128, SER138, ASN139 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • DIO · 1,4-diethylene dioxide
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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