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Ligand · D57

D57 · dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate

D57, dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate (C22 H22 N2 O6, 410.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
D57
Formula
C22 H22 N2 O6
Class
ligand
Structures
3
PDB entries
2

Binding sites

D57 in 3 structures; the first of them:

  • 6CEO · Structure of Hsp90 NTD with a GRP94-selective resorcinylic inhibitor. · D57 A301 · binds LEU48, ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96 and 8 more
  • 6BAW · Structure of GRP94 with a selective resorcinylic inhibitor. · D57 B401 · binds LEU104, ASN107, ALA111, ASP149, VAL152, GLY153, MET154, ASN162 and 5 more
  • 6CEO · Structure of HSP90 ntd with a GRP94-selective resorcinylic inhibitor. · D57 A301 · binds LEU48, ASN51, SER52, ASP54, ALA55, LYS58, ASP93, ILE96 and 8 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol
  • MG · Magnesium ion
  • PO4 · Phosphate ion

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