GL1X · GenesisL1 explorer

Ligand · H6H

H6H · ~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

H6H, ~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (C30 H39 N9 O3, 573.7 g/mol), in the MolNFT…

Component
H6H
Formula
C30 H39 N9 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

H6H in 2 structures; the first of them:

  • 6I7N · Trypanothione Reductase from Leismania infantum in complex with TRL156 · H6H B502 · binds THR473, SER14, LEU17, GLU18, TRP21, SER109, TYR110, MET113 and 1 more
  • 6I7N · Trypanothione reductase from leismania infantum in complex with TRL156 · H6H B502 · binds THR473, SER14, LEU17, GLU18, TRP21, SER109, TYR110, MET113 and 1 more

Residues it binds most

SER 2, GLU 2, ILE 2, LEU 2, MET 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • SO4 · Sulfate ion
  • GOL · Glycerol

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