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Ligand · 403

403 · (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide

403, (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide (C20 H24 Cl N3 O4 S, 437.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
403
Formula
C20 H24 Cl N3 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

403 in 2 structures; the first of them:

  • 3KMC · Crystal structure of catalytic domain of TACE with tartrate-based inhibitor · 403 B485 · binds THR347, LEU348, GLY349, LEU350, LEU401, VAL402, HIS405, GLU406 and 8 more
  • 3KMC · Crystal structure of catalytic domain of tace with tartrate-based inhibitor · 403 B485 · binds THR347, LEU348, GLY349, LEU350, LEU401, VAL402, HIS405, GLU406 and 8 more

Residues it binds most

HIS 2, LEU 2, VAL 2, ALA 2, GLU 2, GLY 2, ILE 2, PRO 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • INN · N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide
  • ZN · Zinc ion

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