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Ligand · 0Y3

0Y3 · N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide

0Y3, N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide (C54 H66 N8 O14 S2, 1115.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
0Y3
Formula
C54 H66 N8 O14 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0Y3 in 2 structures; the first of them:

  • 4H2E · Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains · 0Y3 B306 · binds GLN108, GLY186, LEU187, LEU188, ALA189, HIS190, ALA191, LEU222 and 34 more
  • 4H2E · Crystal structure of an mmp twin inhibitor complexing two mmp-9 catalytic domains · 0Y3 B306 · binds GLN108, GLY186, LEU187, LEU188, ALA189, HIS190, ALA191, LEU222 and 34 more

Residues it binds most

HIS 2, LEU 2, SER 2, TYR 2, ALA 2, GLY 2, ASP 2, GLU 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • BCN · Bicine
  • CA · Calcium ion
  • ZN · Zinc ion
  • ACT · Acetate ion
  • PEG · Di(hydroxyethyl)ether

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