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Ligand · QGB

QGB · 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino) piperidin-1-yl)-4H-1,2,4-triazol-3-amine

QGB, 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino) piperidin-1-yl)-4H-1,2,4-triazol-3-amine (C19 H27 Cl N6 O, 390.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
QGB
Formula
C19 H27 Cl N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

QGB in 2 structures; the first of them:

  • 6ZE8 · Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with… · QGB A401 · binds TYR27, PHE58, TRP99, ASP138, GLU140, ALA183, MET210, TYR212 and 11 more
  • 6ZE8 · Crystal structure of human chitotriosidase-1 (hchit) catalytic domain in complex with… · QGB A401 · binds TYR27, TRP99, ASP138, GLU140, ALA183, MET210, TYR212, ASP213 and 8 more

Residues it binds most

MET 12, TYR 12, ASP 12, GLU 12, TRP 12, ALA 12, LEU 12, THR 12, ARG 10, PHE 6 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • GOL · Glycerol

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