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Ligand · M9S

M9S · 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole

M9S, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole (C26 H34 N4 S, 434.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component
M9S
Formula
C26 H34 N4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

M9S in 1 structure; the first of them:

  • 6OEY · Crystal structure of trypanothione reductase from trypanosoma brucei in complex with… · M9S B505 · binds LEU17, GLU18, TRP21, SER109, TYR110, GLY112, MET113, ASP116 and 1 more

Residues it binds most

TYR 4, SER 4, ASP 2, GLU 2, GLY 2, LEU 2, MET 2, THR 2, TRP 2, ASN 1 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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