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Ligand · O4W

O4W · 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one

O4W, 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one (C23 H22 Cl N5 O3, 451.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
O4W
Formula
C23 H22 Cl N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

O4W in 2 structures; the first of them:

  • 6XZ9 · Structure of aldosterone synthase (CYP11B2) in complex with… · O4W A602 · binds TRP116, ARG120, PHE130, LEU227, MET230, PHE231, MET238, TRP260 and 12 more
  • 6XZ9 · Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro… · O4W A602 · binds TRP116, ARG120, PHE130, MET230, PHE231, MET238, TRP260, GLU310 and 10 more

Residues it binds most

PHE 6, MET 6, GLU 6, GLY 6, TRP 6, ALA 6, ARG 6, GLN 6, ILE 6, THR 6 (residue and the binding sites it lines).

Found with

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