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Ligand · O64

O64 · 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide

O64, 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide (C12 H11 Cl F3 N O2, 293.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
O64
Formula
C12 H11 Cl F3 N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

O64 in 2 structures; the first of them:

  • 3OVX · Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead · O64 A218 · binds GLN19, GLY23, ALA24, CYS25, TRP26, ASN67, GLY68, GLY69 and 7 more
  • 3OVX · Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead · O64 A218 · binds GLN19, GLY23, ALA24, CYS25, TRP26, ASN67, GLY68, GLY69 and 7 more

Residues it binds most

GLY 4, ASN 4, ALA 4, CYS 4, GLN 4, HIS 4, MET 4, PHE 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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