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Ligand · 3PU

3PU · 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide

3PU, 5-chloro-N-{[(4R)-2,5-dioxo-4-(1,3-thiazol-2-yl)imidazolidin-4-yl]methyl}-1-benzofuran-2-carboxamide (C16 H11 Cl N4 O4 S, 390.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
3PU
Formula
C16 H11 Cl N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3PU in 2 structures; the first of them:

  • 4WKE · Crystal structure of human ADAMTS-4 in complex with inhibitor… · 3PU A508 · binds THR329, LEU330, GLY331, MET332, PHE357, THR358, HIS361, GLU362 and 9 more
  • 4WKE · Crystal structure of human adamts-4 in complex with inhibitor 5… · 3PU A508 · binds THR329, LEU330, GLY331, MET332, PHE357, THR358, HIS361, GLU362 and 9 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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