GL1X · GenesisL1 explorer

Ligand · RDE

RDE · 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate

RDE, 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate (C18 H20 Cl N O7, 397.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
RDE
Formula
C18 H20 Cl N O7
Class
ligand
Structures
4
PDB entries
2

Binding sites

RDE in 4 structures; the first of them:

  • 1ZWH · Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine · RDE A1001 · binds LEU34, ASN37, ALA38, ALA41, ASP79, ILE82, GLY83, MET84 and 4 more
  • 2FYP · GRP94 in complex with the novel HSP90 Inhibitor Radester amine · RDE A1001 · binds LEU104, ASN107, ALA108, ALA111, ASP149, VAL152, GLY153, MET154 and 4 more
  • 1ZWH · Yeast HSP82 in complex with the novel HSP90 inhibitor radester amine · RDE A1001 · binds LEU34, ASN37, ALA38, ALA41, ASP79, ILE82, GLY83, MET84 and 4 more
  • 2FYP · GRP94 in complex with the novel HSP90 inhibitor radester amine · RDE A1001 · binds LEU104, ASN107, ALA108, ALA111, ASP149, VAL152, GLY153, MET154 and 4 more

Residues it binds most

LEU 6, ALA 6, ASN 6, ASP 6, GLY 6, ILE 6, MET 6, PHE 6, THR 6, VAL 4 (residue and the binding sites it lines).

Found with

  • 1PE · Pentaethylene glycol
  • PG4 · Tetraethylene glycol

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