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Ligand · RDS

RDS · 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine

RDS, 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine (C14 H16 Cl N3 O S, 309.8 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
RDS
Formula
C14 H16 Cl N3 O S
Class
ligand
Structures
1
PDB entries
1

Binding sites

RDS in 1 structure; the first of them:

  • 5EBK · Trypanothione reductase in complex with 6-(sec-butoxy)-2-((3-chlorophenyl)thio)pyrimidin-4… · RDS A502 · binds SER14, CYS52, VAL53, CYS57, TYR110, THR335, LEU399, HIS461 and 4 more

Residues it binds most

ARG 4, GLU 3, SER 3, ASN 4, CYS 2, LEU 4, TYR 4, THR 3, VAL 2, ASP 2 (residue and the binding sites it lines).

Found with

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

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