GL1X · GenesisL1 explorer

Ligand · Z59

Z59 · (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide

Z59, (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide (C19 H22 N2 O4 S, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
Z59
Formula
C19 H22 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Z59 in 2 structures; the first of them:

  • 3KME · Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor · Z59 B485 · binds THR347, LEU348, GLY349, LEU350, LEU401, VAL402, HIS405, GLU406 and 8 more
  • 3KME · Crystal structure of catalytic domain of tace with phenyl- pyrrolidinyl-tartrate inhibitor · Z59 B485 · binds THR347, LEU348, GLY349, LEU350, LEU401, VAL402, HIS405, GLU406 and 8 more

Residues it binds most

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

Found with

  • INN · N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide
  • ZN · Zinc ion
  • IPA · Isopropyl alcohol

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