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Ligand · 518

518 · N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide

518, N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide (C29 H29 N3 O5, 499.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
518
Formula
C29 H29 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

518 in 2 structures; the first of them:

  • 3I7I · MMP-13 in complex with a non zinc-chelating inhibitor · 518 A999 · binds GLY183, LEU184, LEU185, ALA186, TYR214, LEU218, VAL219, HIS222 and 13 more
  • 3I7I · Mmp-13 in complex with a non zinc-chelating inhibitor · 518 A999 · binds GLY183, LEU184, LEU185, ALA186, TYR214, LEU218, VAL219, HIS222 and 13 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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