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Ligand · 2CA

2CA · Benzofuran-2-carboxylic acid {(S)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide

2CA, Benzofuran-2-carboxylic acid {(S)-3-methyl-1-[3-oxo-1-(pyridin-2-ylsulfonyl)azepan-4-ylcarbamoyl]butyl}amide (C26 H30 N4 O6 S, 526.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
2CA
Formula
C26 H30 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2CA in 2 structures; the first of them:

  • 1NLJ · Crystal structure of the cysteine protease human cathepsin K in complex with a covalent… · 2CA A300 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLU59, ASN60 and 16 more
  • 1NLJ · Crystal structure of the cysteine protease human cathepsin K in complex with a covalent… · 2CA A300 · binds GLN19, CYS22, GLY23, SER24, CYS25, TRP26, GLU59, ASN60 and 16 more

Residues it binds most

GLY 4, ALA 4, ASN 4, CYS 4, LEU 4, SER 4, TRP 4, ASP 4, GLN 4, GLU 4 (residue and the binding sites it lines).

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