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Ligand · 2D9

2D9 · 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol

2D9, 4-chloro-6-(4-{4-[4-(methylsulfonyl)benzyl]piperazin-1-yl}-1H-pyrazol-5-yl)benzene-1,3-diol (C21 H23 Cl N4 O4 S, 462.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
2D9
Formula
C21 H23 Cl N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2D9 in 2 structures; the first of them:

  • 2CCU · Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)… · 2D9 A1224 · binds LEU48, SER50, ASN51, SER52, ASP54, ALA55, ASP93, ILE96 and 8 more
  • 2CCU · Human HSP90 with 4-chloro-6-(4-(4-(4-methanesulphonyl-benzyl)… · 2D9 A1224 · binds LEU48, SER50, ASN51, SER52, ASP54, ALA55, ASP93, ILE96 and 8 more

Residues it binds most

ASP 2, GLY 2, LEU 2, SER 2, THR 2, ALA 2, ASN 2, ILE 2, MET 2, PHE 2 (residue and the binding sites it lines).

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