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Ligand · 3O2

3O2 · N-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2H-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide

3O2, N-hydroxy-1-(2-methoxyethyl)-4-{[4-(3-{5-[4-(trifluoromethoxy)phenyl]-2H-tetrazol-2-yl}propoxy)phenyl]sulfonyl}piperidine-4-carboxamide (C26 H31 F3 N6 O7 S, 628.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
3O2
Formula
C26 H31 F3 N6 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3O2 in 2 structures; the first of them:

  • 3O2X · MMP-13 in complex with selective tetrazole core inhibitor · 3O2 A1801 · binds GLY1183, LEU1184, LEU1185, ALA1186, HIS1187, LEU1218, VAL1219, HIS1222 and 15 more
  • 3O2X · Mmp-13 in complex with selective tetrazole core inhibitor · 3O2 A1801 · binds GLY1183, LEU1184, LEU1185, ALA1186, HIS1187, LEU1218, VAL1219, HIS1222 and 15 more

Residues it binds most

HIS 8, LEU 8, ALA 8, GLY 8, PHE 8, PRO 8, TYR 8, THR 8, GLU 8, ILE 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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