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Ligand · J9O

J9O · 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one

J9O, 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one (C30 H31 Cl N4 O4, 547.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
J9O
Formula
C30 H31 Cl N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

J9O in 2 structures; the first of them:

  • 7EPZ · Overall structure of Erastin-bound xCT-4F2hc complex · J9O B601 · binds ILE52, THR56, SER187, GLN191, TYR251, LEU252, ASN253, PHE254 and 5 more
  • 7EPZ · Overall structure of erastin-bound xct-4F2HC complex · J9O B601 · binds ILE52, SER187, GLN191, TYR251, LEU252, PHE254, ILE266, PHE336

Residues it binds most

ILE 2, PHE 2, ASN 1, GLN 2, LEU 2, SER 2, TYR 2, ARG 1, THR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • PX8 · 1,2-distearoyl-sn-glycero-3-phosphate
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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