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Ligand · YJX

YJX · 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one

YJX, 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one (C18 H14 N4 O, 302.3 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…

Component
YJX
Formula
C18 H14 N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

YJX in 4 structures; the first of them:

  • 2YJX · Tricyclic series of Hsp90 inhibitors · YJX A1224 · binds PHE22, ILE26, MET98, LEU103, ILE104, LEU107, GLY108, ILE110 and 8 more
  • 2YK2 · Tricyclic series of Hsp90 inhibitors · YJX A1225 · binds PHE22, ILE26, ASN51, MET98, LEU103, ILE104, LEU107, GLY108 and 9 more
  • 2YJX · Tricyclic series of HSP90 inhibitors · YJX A1224 · binds PHE22, ILE26, MET98, LEU103, ILE104, LEU107, GLY108, ILE110 and 8 more
  • 2YK2 · Tricyclic series of HSP90 inhibitors · YJX A1225 · binds PHE22, ILE26, ASN51, MET98, LEU103, ILE104, LEU107, GLY108 and 9 more

Residues it binds most

ILE 4, PHE 4, GLY 4, LEU 4, VAL 4, ALA 4, MET 4, TRP 4, TYR 4, ASN 2 (residue and the binding sites it lines).

Found with

  • YJW · 4-(5-methyl-4-phenylisoxazol-3-yl)benzene-1,3-diol

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