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Ligand · 0ZZ

0ZZ · 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid

0ZZ, 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid (C26 H33 Br N2 O6 S, 581.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
0ZZ
Formula
C26 H33 Br N2 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0ZZ in 2 structures; the first of them:

  • 1RHQ · Crystal structure of the complex of caspase-3 with a bromomethoxyphenyl inhibitor · 0ZZ A551 · binds MET176, ARG179, SER236, HIS237, GLY238, GLU239, PHE244, GLN283 and 11 more
  • 1RHQ · Crystal structure of the complex of caspase-3 with a bromomethoxyphenyl inhibitor · 0ZZ A551 · binds MET176, ARG179, SER236, HIS237, GLY238, GLU239, PHE244, GLN283 and 11 more

Residues it binds most

SER 4, PHE 4, ARG 4, ALA 4, CYS 4, GLN 4, GLU 4, GLY 4, HIS 4, MET 4 (residue and the binding sites it lines).

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