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Ligand · 4QB

4QB · 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid

4QB, 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid (C27 H31 N5 O5, 505.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
4QB
Formula
C27 H31 N5 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

4QB in 2 structures; the first of them:

  • 1RWN · Crystal structure of human caspase-1 in complex with… · 4QB A501 · binds ARG179, SER236, HIS237, GLY238, GLN283, ALA284, CYS285, VAL338 and 9 more
  • 1RWN · Crystal structure of human caspase-1 in complex with 3-{2-ethyl-6-[4… · 4QB A501 · binds ARG179, SER236, HIS237, GLY238, GLN283, ALA284, CYS285, VAL338 and 9 more

Residues it binds most

ARG 2, SER 2, GLY 2, HIS 2, VAL 2, ALA 2, CYS 2, GLN 2, MET 2, TRP 2 (residue and the binding sites it lines).

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